Iuliia Voroshylova (A818-B61E-C498)

Curriculum Vitae

Iuliia Voroshylova

Iuliia Voroshylova completed her Bachelor's degree in chemistry in 2006, followed by a Master's degree in 2007 and finally by a PhD in physical chemistry in 2013 at V.N. Karazin Kharkiv National University. Until October, 2024 she was a researcher at the Associated Laboratory for Green Chemistry at REQUIMTE (LAQV@REQUIMTE), University of Porto, Portugal. Dr. Voroshylova is, for a long time, working upon a comprehensive description of the ionic liquids (ILs) containing ion-molecular systems. She is also interested in ionic liquids alternatives, such as deep eutectic solvents (DES), as well as in computational description of processes occurring during molecularly imprinting polymers (MIPs) formation. She has a broad experience in a number of experimental methods (IR and NMR spectroscopy, conductimetry, densimetry, viscosimetry, cyclic voltammetry). Currently, she employs a wide range of theoretical tools (classical and ab initio molecular dynamics simulations and quantum mechanical calculations) to unveil structure peculiarities and transport features of pure ionic liquids, including magnetic ILs, their mixtures with molecular co-solvents, and deep eutectic solvents in bulk and confined between electrodes, as well as applied to other complex ion-molecular systems. Dr. Voroshylova participates in conjunction with experimental analytical chemistry group in development of molecularly imprinted polymers for selective determination of pharmaceuticals in water samples. Iuliia Voroshylova participated in several projects financed by national (Portuguese and Ukrainian) and international funding agencies, as PI, co-PI and team member. She has authored more than 40 significant peer-reviewed publications, including 1 book and 3 book chapters, related to ionic liquids, deep eutectic solvents and MIPs. She has participated in national and international conferences with 27 poster and 28 oral presentations. Iuliia Voroshylova regularly takes training courses, schools, webinars, etc, to deepen knowledge and improve skills in her field of research. She also lectured courses, related to physical chemistry, computational chemistry, molecular dynamics simulation and quantum mechanics. She supervises/co-supervises Bachelor, Master and PhD students and serves as an invited referee and scientific editro for the world's leading professional journals and agencies.

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Identification

Personal identification

Full name: Iuliia Voroshylova

Citation names

Voroshylova, Iuliia
Iuliia V. Voroshylova
Usina, J. V.
Usina, Y. V.

Author identifiers

Ciência ID: A818-B61E-C498
ORCID iD: 0000-0003-2921-5155
Google Scholar ID: https://scholar.google.com/citations?user=DqqgcSIAAAAJ&hl=en
Researcher Id: D-2163-2016

Email addresses

voroshylova.iuliia@fc.up.pt (Professional)

Telephones

Telephone

227849263 (Personal)

Addresses

Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto. Rua Campo Alegre, 687, s/n, 4169 - 007, Porto, Porto, Portugal (Professional)

Websites

https://sigarra.up.pt/fcup/pt/func_geral.formview?p_codigo=501129 (Scholar)

Knowledge fields

Exact Sciences - Chemical Sciences - Physical Chemistry
Exact Sciences - Chemical Sciences - Electrochemistry

Languages

Language	Speaking	Reading	Writing	Listening	Peer-review
English	Advanced (C1)	Proficiency (C2)	Proficiency (C2)	Proficiency (C2)	Proficiency (C2)
Portuguese	Proficiency (C2)	Proficiency (C2)	Advanced (C1)	Proficiency (C2)
Ukrainian (Mother tongue)
Russian (Mother tongue)

Education

	Degree	Classification
2025/01/21 - 2025/02/11 Concluded	Introduction to Web Development with Django (Outros) Major in Computer Science, Informatics Universidade do Porto Faculdade de Ciências, Portugal Universidade do Porto Departamento de Ciência de Computadores, Portugal	Approved
2024/10/21 - 2024/11/28 Concluded	Bitmap editing (Photoshop) (Outros) Major in Audiovisuals and Media Production Engenharia Informática e Sistemas, Novas Tecnologias (EISnt), Portugal
2024/05/17 - 2024/06/08 Concluded	Introduction to data processing with Python and Spark (Outros) Major in Computer Science, Informatics Universidade do Porto Faculdade de Ciências, Portugal Universidade do Porto Departamento de Ciência de Computadores, Portugal	18
2023/10/25 - 2023/12/20 Concluded	Database management systems (DBMS) - Power BI (Outros) Major in Computer science, programming Engenharia Informática e Sistemas, Novas Tecnologias (EISnt), Portugal
2023/09/07 - 2023/10/31 Concluded	Advanced programming with Python (Outros) Major in ciência de computadores, programação Engenharia Informática e Sistemas, Novas Tecnologias (EISnt), Portugal
2023/07/03 - 2023/08/24 Concluded	Python fundamentals (Outros) Major in ciência de computadores, programação Engenharia Informática e Sistemas, Novas Tecnologias (EISnt), Portugal
2023/04/28 - 2023/06/17 Concluded	SQL databases (Outros) Major in ciência de computadores, programação Universidade do Porto Faculdade de Ciências, Portugal Universidade do Porto Departamento de Ciência de Computadores, Portugal	18
2023/03/03 - 2023/04/22 Concluded	Programming in Python (Outros) Major in ciência de computadores, programação Universidade do Porto Faculdade de Ciências, Portugal Universidade do Porto Departamento de Ciência de Computadores, Portugal	19
2014/06/01 - 2018/10/31 Concluded	Solvent - solute interactions in Room Temperature Ionic Liquid: An experimental and theoretical approach (Pós-doutoramento) Universidade do Porto Centro de Investigação em Química, Portugal REQUIMTE LAQV Porto, Portugal
2013/11/21 Concluded	Candidate of Chemical Sciences (PhD) (Doctor) Major in Physical Chemistry Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine "Physical and chemical properties and microstructure of binary mixtures based on imidazolium and pyridinium ionic liquids with acetonitrile and methanol" (THESIS/DISSERTATION)	approved
2006/09/01 - 2007/07/03 Concluded	Master's Degree in Chemistry (Master) Major in Inorganic Chemistry Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine "Physical and chemical properties of tetraalkylammonium salts in acetonitrile within the wide range of concentrations" (THESIS/DISSERTATION)	Excellent
2002/09/01 - 2006/07/03 Concluded	Bachelor's Degree in Chemistry (Bachelor) Major in Inorganic Chemistry Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine "Inter-ion association and electrical conductivity of Bu4NBr solutions of moderate and high concentration in acetonitrile" (THESIS/DISSERTATION)	Excellent

Affiliation

Science

	Category Host institution	Employer
2025/06/01 - Current	Contracted Researcher (Research)	Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal
	Universidade do Porto Faculdade de Ciências, Portugal
2018/11/01 - 2024/10/31	Contracted Researcher (Research)	Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal
	Universidade do Porto Faculdade de Ciências, Portugal
2014/06/01 - 2018/10/31	Postdoc (Research)	Universidade do Porto Centro de Investigação em Química, Portugal
	Universidade do Porto Faculdade de Ciências, Portugal
2014/06/01 - 2018/10/31	Postdoc (Research)	Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal
	Universidade do Porto Faculdade de Ciências, Portugal
2012/01/15 - 2013/08/31	Researcher (Research)	Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

2010/12/01 - 2011/12/01	Researcher (Research)	Universidade do Porto Instituto de Ciências e Tecnologias Agrárias e Agro-Alimentares, Portugal

2008/09/01 - 2010/11/30	Research Assistant (Research)	Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Teaching in Higher Education

	Category Host institution	Employer
2024/02 - 2024/07	Invited Assistant Professor (University Teacher)	Universidade do Porto Faculdade de Ciências, Portugal
	Universidade do Porto Faculdade de Ciências, Portugal
2012/09/01 - 2013/08/31	Assistant (University Teacher)	Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

2007/09/01 - 2008/08/31	Assistant (University Teacher)	Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Others

	Category Host institution	Employer
2019/07/29 - 2020/03/09	Licença de maternidade	REQUIMTE LAQV Porto, Portugal

Projects

Grant

	Designation	Funders
2024/09 - 2025	MrMUSCLE: Modeling to Reality: Can physics-based MULtiSCALE modeling explain soft actuators? 101211060 Post-doc Fellow Tartu Ülikool, Estonia	EU Framework Programme for Research and Innovation Marie Sklodowska-Curie Actions Not funded
2014/06/01 - 2018/10/31	Solvent - solute interactions in Room Temperature Ionic Liquid: An experimental and theoretical approach SFRH/BPD/97918/2013 Post-doc Fellow Universidade do Porto Centro de Investigação em Química, Portugal REQUIMTE LAQV Porto, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2010/03/01 - 2011/11/30	Equilibrium, structure and dynamics of liquid-liquid interfaces involving ionic liquids info:eu-repo/grantAgreement/FCT/5876-PPCDTI/104195/PT Universidade do Porto Instituto de Ciências e Tecnologias Agrárias e Agro-Alimentares, Portugal	Universidade do Algarve Faculdade de Ciências e Tecnologia Concluded

Contract

	Designation	Funders
2024 - Current	SUPREMA: SUPercapacitor performance through Rational Electrolyte and Electrode design: Modular computational Approach 2023.14768.PEX Principal investigator Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal	Not funded
2022/01/01 - Current	PaperSenseMIP - Paper-based molecularly imprinted polymer devices for the analysis of pharmaceuticals PTDC/QUI-QAN/3899/2021 external researcher REQUIMTE LAQV Porto, Portugal	Fundação para a Ciência e a Tecnologia Ongoing
2021/01/01 - 2025/12/31	Laboratório Associado para a Química Verde - Tecnologias e Processos Limpos LA/P/0008/2020 10.54499/LA/P/0008/2020 Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal Universidade de Aveiro, Portugal Associação para a Inovação e Desenvolvimento da FCT, Portugal Universidade de Évora, Portugal Unidade de Investigação Vidro e Cerâmica para as Artes, Portugal Universidade de Lisboa Instituto Dom Luiz, Portugal Universidade NOVA de Lisboa, Portugal	Fundação para a Ciência e a Tecnologia Ongoing
2024/06/01 - 2025/05/31	2023.10811.CPCA.A2: Solvent-in-salt electrolytes for safe and efficient energy storage: Multiscale Theoretical Approach 2023.10811.CPCA https://doi.org/10.54499/2023.10811.CPCA.A2 Principal investigator Rede Nacional de Computação Avançada, Portugal	Fundação para a Ciência e a Tecnologia Ongoing
2024/04/15 - 2024/04/26	Optimization of chromium electrodeposition methods from dense ionic solvents for more efficient and environmentally friendly chromium plating: computational study. Edición 2023-2024, candidatura 60 Principal investigator Universidade de Santiago de Compostela, Spain Universidade do Porto, Portugal	Agrupación Europea de Cooperación Territorial – Galicia-Norte de Portugal (GNP-AECT) Concluded
2023/05/15 - 2023/05/26	Development of electrolyte-electrode systems based on ionic liquids for new generation energy storage and transformation devices: computational study. Edición 2022-2023, candidatura 168 Principal investigator Universidade de Santiago de Compostela, Spain Universidade do Porto, Portugal	Agrupación Europea de Cooperación Territorial – Galicia-Norte de Portugal (GNP-AECT) Concluded
2023 - 2023	Rational Design of Electrolyte and Electrode Components for High-Performance Supercapacitors: A Computational Approach 2023.07858.CEECIND REQUIMTE LAQV Porto, Portugal Universidade do Porto Faculdade de Ciências, Portugal	Fundação para a Ciência e a Tecnologia Not funded
2022 - 2022	GreeMRoy: Rational development of greener methodologies for isolation of natural bioactive compounds: computational and experimental approach 2022.03778.PTDC Principal investigator REQUIMTE LAQV Porto, Portugal Universidade do Porto Faculdade de Ciências, Portugal	Fundação para a Ciência e a Tecnologia Not funded
2022 - 2022	SiSEs systems for safe and efficient energy storage: Multiscale Theoretical Approach 2022.15859.CPCA Principal investigator REQUIMTE LAQV Porto, Portugal Universidade do Porto Faculdade de Ciências, Portugal	Fundação para a Ciência e a Tecnologia Fundacao de Computacao Cientifica Nacional Not funded
2021/05/01 - 2021/12/31	Surfactants in deep eutectic solvents: MD simulation in bulk and confinement (200 000 core-h) C210400522 Principal investigator Forschungszentrum Jülich Jülich Supercomputing Centre, Germany	Forschungszentrum Jülich Jülich Supercomputing Centre Concluded
2021 - 2021	SiSEs systems for safe energy storage: Multiscale Theoretical Approach 2021.09785.CPCA Principal investigator REQUIMTE LAQV Porto, Portugal Universidade do Porto Faculdade de Ciências, Portugal	Fundação para a Ciência e a Tecnologia Fundacao de Computacao Cientifica Nacional Not funded
2021 - 2021	Energy@MOFs: Boosting energy storage prospects of conductive dense ionic liquids@metal-organic frameworks (MOFs) PTDC/QUI-ELT/3745/2021 Co-Principal Investigator (Co-PI) REQUIMTE LAQV Porto, Portugal Universidade do Porto Centro de Investigação em Química, Portugal Universidade do Porto Faculdade de Ciências, Portugal	Fundação para a Ciência e a Tecnologia Not funded
2018/07/01 - 2020/06/30	IL4Energy - Ionic Liquids under nanoconfinement for advanced energy applications NORTE-01-0145-FEDER-032294 Researcher Universidade do Porto Centro de Investigação em Química, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2020 - 2020	ReAlEnergy: Rechargeable Aluminum batteries with deep eutectic solvent electrolytes: towards sustainable energy PTDC/QUI-QFI/2526/2020 Principal investigator REQUIMTE LAQV Porto, Portugal Universidade do Porto Faculdade de Ciências, Portugal	Fundação para a Ciência e a Tecnologia Not funded
2019/01/01 - 2019/12/31	Associated Laboratory for Green Chemistry - Clean Technologies and Processes UID/QUI/50006/2019 Universidade do Porto Faculdade de Ciências, Portugal Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal Universidade do Porto Instituto de Ciências Tecnologias e Agroambiente, Portugal Associação para a Inovação e Desenvolvimento da FCT, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2019/01/01 - 2019/12/31	Centro de Investigação em Química da Universidade do Porto UID/QUI/00081/2019 Universidade do Porto Faculdade de Ciências, Portugal Universidade do Porto Centro de Investigação em Química, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2019/01/01 - 2019/12/31	Laboratório Associado para a Química Verde - Tecnologias e Processos Limpos (UID/QUI/50006/2019) UID/QUI/50006/2019 Universidade do Porto Faculdade de Ciências, Portugal Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal Universidade do Porto Instituto de Ciências Tecnologias e Agroambiente, Portugal Universidade Nova de Lisboa Associação para a Inovação e Desenvolvimento da FCT, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2018 - 2018	IoLiLEC – Ionic Liquids for Lightabsorbing Electrochemical Cell CEECIND/02255/2017 Researcher REQUIMTE LAQV Porto, Portugal Universidade do Porto Faculdade de Ciências, Portugal	Fundação para a Ciência e a Tecnologia Not funded
2015 - 2015	Electrolytes for batteries with improved safety properties: simulation and experimental studies PTDC/QEQ-QFI/0996/2014 Principal investigator	Not funded
2009 - 2010	Structure, dynamics and interparticle interactions in liquid non-aqueous ion-molecular systems 0103U004189 Researcher Harkivs'kij nacional'nij universitet imeni V N Karazina Himicnij fakul'tet, Ukraine	Ukrainian National Fund For Fundamental Research Concluded
2008 - 2009	Co-PI in "Structure and dynamics of ion-molecular systems in the bulk phase and carbon nanomaterials" 0109U001426 Researcher Harkivs'kij nacional'nij universitet imeni V N Karazina Himicnij fakul'tet, Ukraine	Harkivs'kij nacional'nij universitet imeni V N Karazina Concluded
2007 - 2008	Pico- and nanosized processes in ionic liquids and ion-molecular systems as the basis for novel functional materials 0109U001212 Researcher Harkivs'kij nacional'nij universitet imeni V N Karazina Himicnij fakul'tet, Ukraine	Ukrainian National Fund For Fundamental Research Concluded

Other

	Designation	Funders
2019/01/01 - 2019/12/31	Laboratório de Processos de Separação e Reacção UID/EQU/50020/2019 UID/QUI/50006/2019 LA/P/0008/2020 10.54499/LA/P/0008/2020 Universidade do Porto Laboratório de Processos de Separação e Reacção Laboratório de Catálise e Materiais, Portugal Universidade do Porto Faculdade de Ciências, Portugal Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal Universidade Nova de Lisboa, Portugal Universidade do Porto Instituto de Ciências Tecnologias e Agroambiente, Portugal Universidade de Aveiro, Portugal Universidade de Évora, Portugal Unidade de Investigação Vidro e Cerâmica para as Artes, Portugal Universidade de Lisboa Instituto Dom Luiz, Portugal Universidade Nova de Lisboa Associação para a Inovação e Desenvolvimento da FCT, Portugal Universidade do Porto Faculdade de Engenharia, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2016/03/01 - 2016/03/31	MD simulations of ionic liquids mixtures at charged interfaces COST-STSM-CM1206-32777 Principal investigator Tartu Ülikool, Estonia Universidade do Porto Centro de Investigação em Química, Portugal REQUIMTE LAQV Porto, Portugal	European Cooperation in Science and Technology Concluded

Outputs

Publications

Book	Iuliia V. Voroshylova; Chaban, Vitaly V.. Ionic Liquids Shape Future in Electrochemistry. GlobeEdit. 2015. Published
Book chapter	Voroshylova, Iuliia V.; Ferreira, Elisabete S.C.; Cordeiro, M. Natália D.S.. "Electrical double layer in ionic liquids and deep eutectic solvents". In Encyclopedia of Solid-Liquid Interfaces, edited by Klaus Wandelt; Gianlorenzo Bussetti, 29-39. Elsevier, 2024. Published • https://doi.org/10.1016/B978-0-323-85669-0.00028-3 Voroshylova, Iuliia V.; Ferreira, Elisabete S.C.; Koverga, Volodymyr A.; Pereira, Carlos M.; Cordeiro, M. Natália D.S.. "Structure and noncovalent interactions in ionic liquids mixtures and deep eutectic solvents". In Theoretical and Computational Approaches to Predicting Ionic Liquid Properties, edited by Aswathy Joseph; Suresh Mathew, 105-157. Elsevier, 2021. 10.1016/b978-0-12-820280-7.00013-9 Riabchunova, Anastasiia V.; Iuliia V. Voroshylova; Chaban, Vitaly V.; Marekha, Bogdan A.; Koverga, Volodymyr A.; Idrissi, Abdenacer. "Transport Properties and Ion Aggregation in Mixtures of Room Temperature Ionic Liquids with Aprotic Dipolar Solvents". In Modern Problems of Molecular Physics, edited by Bulavin, L.; Chalyi, A., 67-109. Springer International Publishing, 2018. Published • 10.1007/978-3-319-61109-9_5
Conference abstract	IVANISTSEV, VLADISLAV; Iuliia V. Voroshylova. "From advances in modeling double layer to optimizing energy density of supercapacitors". Paper presented in The 38th European Conference on Surface Science - ECOSS 38, Braga, 2025. Published Iuliia V. Voroshylova; IVANISTSEV, VLADISLAV; Cordeiro, M. Natalia D. S.. "Screening Charged Surfaces in Ionic Liquids Mixtures: Molecular Dynamics of Ions Competition". Paper presented in The 38th European Conference on Surface Science - ECOSS 38, Braga, 2025. Published Jules Wolff; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.; Laurent Ruhlmann; Pierre-Antoine Bonnefont; Alain Chaumont; Tristan Asset. "PACEEP 37 : Molecular Dynamics for Electrode \| Electrolyte Interfaces". Paper presented in 4 ème REUNION PLENIERES de la Fédération Hydrogène (FRH2), La Grande-Motte, 2024. Published Ers, Heigo; Liis SIINOR; Iuliia V. Voroshylova; IVANISTSEV, VLADISLAV; Enn Lust; Pikma, Piret. "Adsorption and structuring processes at single-crystal electrode \| ionic liquid interface – insights from simulations and in situ studies". Paper presented in 8th Baltic Electrochemistry Conference: Finding New Inspiration 2 (BEChem 2024), Tartu, 2024. Published IVANISTSEV, VLADISLAV; Lembinen, Meeri; Ers, Heigo; Karu, Karl; Enn Lust; Iuliia V. Voroshylova. "Ionic liquid–electrode interface: from quantum capacitance to charge transfer". Paper presented in 8th Baltic Electrochemistry Conference: Finding New Inspiration 2 (BEChem 2024), Tartu, 2024. Published Iuliia V. Voroshylova; IVANISTSEV, VLADISLAV; Cordeiro, M. Natalia D. S.. "Charge Screening at Ionic Liquid-Electrode Interfaces, O07". Paper presented in 29th EUCHEMS Conference on Molten Salts and Ionic Liquids, Euchemsil-2024, Santiago de Compostela, 2024. Published IVANISTSEV, VLADISLAV; Lembinen, Meeri; Ers, Heigo; Karl Karu; Enn Lust; Iuliia V. Voroshylova. "Ionic liquid–electrode interface: partial charge transfer, surface dipole, and quantum capacitance". Paper presented in 29th EUCHEMS Conference on Molten Salts and Ionic Liquids, Euchemsil-2024, Santiago de Compostela, 2024. Published Ivaništšev, Vladislav B.; Ers, Heigo; Ritums Cepitis; Iuliia V. Voroshylova. Corresponding author: Ivaništšev, Vladislav B.. "O_A1.1 - Electrical double layer in ionic liquids: structures, potentials, and applications". Paper presented in ILMAT2023 \| 7th International Conference on Ionic Liquid-Based Materials, Porto, 2023. Published Iuliia V. Voroshylova; Ers, Heigo; Ivani¿t¿ev, Vladislav B.; Cordeiro, M. Natalia D. S.. Corresponding author: Iuliia V. Voroshylova. "O_B1.4 - Molecular dynamics simulation of surface charge screening in Ionic liquids mixtures: competition of ions". Paper presented in ILMAT2023 \| 7th International Conference on Ionic Liquid-Based Materials - 21st - 24th November 2023, Porto, 2023. Published Iuliia V. Voroshylova; Ers, Heigo; Ivani¿t¿ev, Vladislav B.; Cordeiro, M. Natalia D. S.. Corresponding author: Iuliia V. Voroshylova. "Molecular dynamics simulation of surface charge screening in Ionic liquids mixtures: competition of ions". Paper presented in ILMAT2023 \| 7th International Conference on Ionic Liquid-Based Materials - 21st - 24th November 2023, Porto, 2023. Published Rebelo, Patrícia; João G. Pacheco; Iuliia V. Voroshylova; Isabel Seguro; Melo, André; Cordeiro, M. Natalia D. S.; Cristina Delerue-Matos. "Molecularly imprinted sensors for electrochemical analysis of pharmaceuticals in environmental waters.". Paper presented in The 3rd edition of the Sensors Technologies International conference - Sensors 2023, Albufeira, 2023. Published Iuliia V. Voroshylova; Heigo Ers; Piret Pikma; Vladislav B. Ivaništšev. "Computational study of the influence of temperature on EMImBF 4 – graphene interface: explanation in the framework of bilayer model". Paper presented in YOUNG MULTIS 2023 - Multiscale Phenomena in Condensed Matter online conference for young researchers (online), Cracow, 2023. Published Andreia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "Greenhouse gases solubility by magnetic ionic liquids: MD simulation study". Paper presented in 8th Portuguese Young Chemists Meeting, 8PyCheM, Vila Real, 2023. Published Andreia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. Corresponding author: Cordeiro, M. Natalia D. S.. "P15 - Greenhouse gases solubility by magnetic ionic liquids: MD simulation study". Paper presented in 8th Portuguese Young Chemists Meeting, 8PyCheM, Vila Real, 2023. Published Andreia da Palma Fonseca; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "C2 - Computational study of ionic liquids with metal-based anions for gas separation/absorption". Paper presented in XV Seminário Científico do Mestrado em Química, Porto, 2023. Published Andreia da Palma Fonseca; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. Corresponding author: Cordeiro, M. Natalia D. S.. "Computational study of ionic liquids with metal-based anions for gas separation/absorption". Paper presented in XV Seminário Científico do Mestrado em Química, Porto, 2023. Published Heigo Ers; Iuliia V. Voroshylova; Liis SIINOR; Pikma, Piret; Ivaništšev, Vladislav. "Electrode \| Ionic liquid interface – insights of capacitance-structure dependence from simulations and bilayer model". Paper presented in Congress on Ionic Liquids - COIL9, Lyon, 2023. Published Ivaništšev, Vladislav; Iuliia V. Voroshylova; Kaija POHAKO-ESKO; Xueran Tao; Ers, Heigo. "Electrode \| ionic liquid interfaces – from packing of counter-ions to potentials of saturation charge". Paper presented in Congress on Ionic Liquids - COIL9, Lyon, 2023. Published Andeia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "20810 \| Atomistic MD simulations of adsorption of greenhouse gases in magnetic ionic liquids". Paper presented in Investigação Jovem da U.Porto, IJUP-2023, 16ª edição, Porto, 2023. Published Andeia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. Corresponding author: Cordeiro, M. Natalia D. S.. "Atomistic MD simulations of adsorption of greenhouse gases in magnetic ionic liquids". Paper presented in Investigação Jovem da U.Porto, IJUP-2023, 16ª edição, Porto, 2023. Published Iuliia V. Voroshylova; Ers, Heigo; Borja Docampo-Álvarez; Piret Pikma; Vladislav B. Ivaništšev; Cordeiro, M. Natalia D. S.. "QT01 - Interface between BmimPF6 ionic liquid and gold metal surface from MD simulations perspective". Paper presented in XXVI Encontro galego-português de química, Santiago de Compostela, 2022. Published Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Figueiredo, Nádia; Cordeiro, M. Natalia D. S.. "Pag.015 - Comparison of non-covalent interactions in ionic liquids mixtures and deep eutectic solvents: molecular dynamics study". Paper presented in 5TH INTERNATIONAL CONFERENCE ON GREEN CHEMISTRY AND SUSTAINABLE ENGINEERING (GreenCHEM-22), Rome, 2022. Published Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Figueiredo, Nádia; Cordeiro, M. Natalia D. S.. "Pag.005 - Alcohol-based Ionic Liquid Analogues: A Molecular Dynamics Study". Paper presented in 5th International Conference on Green Chemistry and Sustainable Engineering (GreenChem-22), Rome, 2022. Published Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Figueiredo, Nádia; Cordeiro, M. Natalia D. S.. "Comparison of non-covalent interactions in ionic liquids mixtures and deep eutectic solvents: molecular dynamics study". Paper presented in 5TH INTERNATIONAL CONFERENCE ON GREEN CHEMISTRY AND SUSTAINABLE ENGINEERING (GreenCHEM-22), Rome, 2022. Published Alex Himmel; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "SISEs for safe and high-energy batteries". Paper presented in XIV Seminário Científico do Mestrado em Química, Porto, 2022. Published Ers, Heigo; Iuliia V. Voroshylova; Piret Pikma; Ivaništšev, Vladislav B.. "L02-1958 - Relating the Ambient Temperature and Ionic Liquid Structure to the Changes of Capacitance Using Molecular Dynamics". Paper presented in 241th ECS Meeting, 29 May - 2 June 2022, Vancouver, 2022. Published Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Koverga, Volodymyr A.; Figueiredo, Nádia M.; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "MD study of hydrogen bonding and structure in alternative solvents: ionic liquids mixtures vs. deep eutectic solvents". Paper presented in 5th European Conference on Green and Sustainable Chemistry - Virtual Conference, Thessaloniki, 2021. Published Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Koverga, Volodymyr A.; Figueiredo, Nádia; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "Structure and noncovalent interactions in glycol-based deep eutectic solvents". Paper presented in 5th European Conference on Green and Sustainable Chemistry - Virtual Conference, Thessaloniki, 2021. Published Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; André Melo; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "PP 14 Evento Virtual / Online Meeting MOLECULARLY IMPRINTED POLYMER-BASED ELECTROCHEMICAL SENSORS FOR THE DETECTION OF ANTIBIOTICS IN THE ENVIRONMENT". Paper presented in ANALÍTICA 2020, 10º Encontro da Divisão de Química Analítica, Lisboa, 2020. Published Miguel Jorge; Hantal, György; Cordeiro, M. Natália D. S.; Iuliia V. Voroshylova; Sega, Marcello; Kantorovich, Sofia; Christian Schröder. "Intrinsic Analysis of Fluid Interfaces Involving Ionic Liquids". Paper presented in 2018 AIChE Annual Meeting - AIChE + Chemical Engineering: Today, Tomorrow & Leading the Future, Pittsburgh, 2018. Published Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Michal Malcek; Renata B. Costa; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Influence of the anion on ionic liquids mixtures properties: A molecular dynamics study". Paper presented in 2nd Advances in Green Chemistry Conference, Poznan, 2018. Published Nádia M. Figueiredo; Iuliia V. Voroshylova; Volodymyr A. Koverga; Cordeiro, M. Natália D. S.. "Theoretical study of the addition of solvents to ionic liquids". Paper presented in 2nd Advances in Green Chemistry Conference, Poznan, 2018. Published Kalugin, Oleg N.; Marekha, Bogdan A.; Iuliia V. Voroshylova; Chaban, Vitaly V.; Riabchunova, Anastasiia V.; Lukinova, Elena V.; Idrissi, Abdenacer; Ashok K. Adya. "Structure and dynamics of the binary systems based on imidazolium room temperature ionic liquids with polar solvents". Paper presented in EMLG - JMLG annual meeting 2013 "Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation", Lille, 2013. Published Iuliia V. Voroshylova; Chaban, Vitaly V.; Oleg N. Kalugin. "MSP 39 P Transport properties and ionic clusters in mixtures of imidazolium-based ionic liquids with acetonitrele by means of molecular dynamics simulations". Paper presented in Materials Science and Condensed Matter Physics Conference, Chisinau, 2012. Published Riabchunova, Anastasiia V.; Iuliia V. Voroshylova; Lukinova, Elena V.; Kalugin, Oleg N.. "MSP 40 P Electric conductivity of binary mixtures based on acetonitrile and ionic liquids". Paper presented in Materials Science and Condensed Matter Physics Conference, Chisinau, 2012. Published Chaban, Vitaly V.; Iuliia V. Voroshylova; Oleg N. Kalugin; Ashok K. Adya. "The New Non-Polarizable Force Field Model of Imidazolium-Based Ionic Liquids". Paper presented in 218th ECS Meeting, Las Vegas, 2010. Published
Conference paper	Heigo Ers; Iuliia Voroshylova; Piret Pikma; Vladislav Ivanistsev. "Relating the Ambient Temperature and Ionic Liquid Structure to the Changes of Capacitance Using Molecular Dynamics". Paper presented in 241st ECS Meeting, Vancouver, 2022. Published • 10.1149/MA2022-01461958mtgabs Chaban, Vitaly; Iuliia V. Voroshylova; Kalugin, Oleg. "The Phenomenological Account for Electronic Polarization in Ionic Liquid". Paper presented in 218th ECS Meeting, 2011. Published • 10.1149/1.3563089
Conference poster	IVANISTSEV, VLADISLAV; Iuliia V. Voroshylova. "Ionic liquid–electrode interface: Classification of ions, voided-to-saturated overscreening, and structure-determined potentials". Paper presented in 39th Topical Meeting of the International Society of Electrochemistry: The Role of Electrochemistry in Sustainable Energy and the Environment, 2025. IVANISTSEV, VLADISLAV; Lembinen, Meeri; Ers, Heigo; Karu, Karl; Enn Lust; Iuliia V. Voroshylova. "Ionic liquid–electrode interface: from quantum capacitance to charge transfer". Paper presented in 8th Baltic Electrochemistry Conference: Finding New Inspiration 2 (BEChem 2024), 2024. Iuliia V. Voroshylova; Karu, Karl; Ers, Heigo; Ivaništšev, Vladislav B.. "From Saturation Parameters to Self-Consistent Bilayer Model of the Ionic Liquid – Electrode Interfaces". Paper presented in 74th Annual Meeting of the International Society of Electrochemistry, ISE-74, 2023. Andreia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "P15 - GREENHOUSE GASES SOLUBILITY BY MAGNETIC IONIC LIQUIDS: MD SIMULATION STUDY". Paper presented in 8th Portuguese Young Chemists Meeting, 8PyCheM, 2023. Andreia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "Force field validation methods for molecular dynamics simulations of phosphonium-based magnetic ionic liquids". Paper presented in Encontro Nacional de Estudantes de Química, ENEQUI-2023, 2023. Rebelo, Patrícia; João Pacheco; Iuliia V. Voroshylova; Melo, André; Cordeiro, M. Natalia D. S.; delerue-matos, C. "Rational development of molecular imprinted carbon paste electrode for Furazolidone detection: theoretical and experimental approach". Paper presented in XXIV Meeting of the Portuguese Electrochemical Society, 2021. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Koverga, Volodymyr A.; Figueiredo, Nádia M.; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "Structure and noncovalent interactions in glycol-based deep eutectic solvents". Paper presented in 5th EuChemS Conference on Green and Sustainable Chemistry, 2021. Iuliia V. Voroshylova; Ers, Heigo; Borja Docampo-Álvarez; Piret Pikma; Vladislav B. Ivaništšev; Cordeiro, M. Natalia D. S.. "Capacitance Hysteresis in MD Simulations of BMImPF6\|Au(111) Interface - s20-015". Paper presented in 72nd Annual Meeting of International Society of Electrochemistry, 2021. Patrícia Rebelo; João Pacheco; Iuliia V. Voroshylova; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "Computational modelling and experimental synthesis of a highly sensitive electrochemical MIP-based sensor for citalopram detection in environmental waters". Paper presented in 31st Anniversary World Congress on Biosensors, 2021. Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; André Melo; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "MOLECULARLY IMPRINTED POLYMER-BASED ELECTROCHEMICAL SENSORS FOR THE DETECTION OF ANTIBIOTICS IN THE ENVIRONMENT". Paper presented in ANALÍTICA 2020, 10º Encontro da Divisão de Química Analítica, 2020. Iuliia V. Voroshylova; Heigo Ers; Vladislav B. Ivaništšev; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "Reliable Differential Capacitance from Computer Simulation of Ionic Liquid Confined Between Charged Electrodes". Paper presented in 71st Annual Meeting of the International Society of Electrochemistry – BelgradeOnline, 2020. Iuliia V. Voroshylova; Lembinen, Meeri; Heigo Ers; Vladislav B. Ivaništšev; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "Molecular Dynamics Simulation of Ionic Liquid at Electrified Interface: Impact of Electrode Surface Crystallography". Paper presented in 71st Annual Meeting of the International Society of Electrochemistry – BelgradeOnline, 2020. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Nádia M. Figueiredo; Carlos M. Pereira; Cordeiro, M. Natália D.S.. Corresponding author: Elisabete S. C. Ferreira. "Computational and experimental study of propeline: a choline chloride based deep eutectic solvent". Paper presented in 4th EUCheMS conference on Green and Sustainable Chemistry, 2019. Nádia Martins Figueiredo; Iuliia V. Voroshylova; Cordeiro, M. Natália D. S.. "Theoretical study of the addition of solvents to ionic liquids". Paper presented in 2nd Advances in Green Chemistry Conference, AGChem 2018, 2018. Iuliia V. Voroshylova; Mišin, M.; Ivaništšev, Vladislav B.; Lembinen, Meeri; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Computer simulations for estimating of differential capacitance in ionic liquids". Paper presented in CECAM-AT workshop "Physics and Chemistry at Fluid/Fluid Interfaces", 2017. Iuliia V. Voroshylova; Elisabete S. C. Ferreira; André Melo; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Binary mixtures of ionic liquids with a common anion: a molecular dynamics study". Paper presented in 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, WATOC - 2017, 2017. Carlos M. Pereira; Renata B. Costa; Iuliia V. Voroshylova; Cordeiro, M. Natália D. S.; António Fernando Silva. "Boosting energy storage efficiency by using ionic liquids mixtures - experimental and theoretical insight". Paper presented in 68th Annual Meeting of the International Society of Electrochemistry, ISE - 2017, 2017. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "New force field model for propylene glycol: insight to local structure and dynamics". Paper presented in 10th Liquid Matter Conference, Liquids - 2017, 2017. Iuliia V. Voroshylova; M. Mišin; V. Ivaništšev; Lembinen, Meeri; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Estimating differential capacitance of the electric double layer in ionic liquids using computer simulations". Paper presented in 10th Liquid Matter Conference, Liquids - 2017, 2017. Iuliia V. Voroshylova; Ivaništšev, Vladislav B.; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Ionic liquids on charged interfaces: molecular dynamics simulation". Paper presented in ILWS2017 Winter School on Ionic Liquids, 2017. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Molecular dynamics of ethaline: reliable physico-chemical properties". Paper presented in 26th EUCHEM Conference on Molten Salts and Ionic Liquids, EUCHEM - 2016, 2016. Iuliia V. Voroshylova; Filipe Teixeira; Renata B. Costa; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "INTERACTIONS IN THE IONIC LIQUID [EMIM][FAP]: A COUPLED EXPERIMENTAL AND COMPUTATIONAL ANALYSIS". Paper presented in CCP5 - Summer School 2015, 2015. Riabchunova, Anastasiia V.; Iuliia V. Voroshylova; Lukinova, Elena V.; Kalugin, Oleg N.. "Electric Conductivity of Binary mixtures Based on acetonitrile and ionic liquids". Paper presented in 6th International conference on material science and condensed matter physics, 2012. Iuliia V. Voroshylova; Chaban, Vitaly V.; Kalugin, Oleg N.. "Transport properties and ionic clusters in mixtures of imidazolium-based ionic liquids with acetonitrele by means of molecular dynamics simulations". Paper presented in 6th International conference on material science and condensed matter physics, 2012. Iuliia V. Voroshylova; Chaban, Vitaly V.; Kalugin, Oleg N.. "The new force field model for imidazolium based ionic liquids. Poster ID: P 52". Paper presented in 28th EMLG-JMLG Annual Meeting 2010, "Complex liquids: modern trends in exploration, understanding and application", 2010. Iuliia V. Voroshylova; Kalugin, Oleg N.. "Microscopic structure and ion dynamics in 1-ethyl-3methyl-imidazolium tetrafluoroborate and 1-buthyl-3methyl-imidazolium tetrafluoroborate room temperature ionic liquids". Paper presented in Vth scientific international conference in chemistry "Kiev-Toulouse", 2009. Lukinova, Elena V.; Usina, J. V.; Kalugin, Oleg N.. "Problems of interpretation of conductance of Bu4NBr in acetonitrile in the range of moderate and high concentrations". Paper presented in XVI International Conference on chemical thermodynamics in Russia, RCCT-2007, 2007. Lukinova, Elena V.; Usina, Y. V.; Kalugin, Oleg N.. "Conductivity and interparticle interactions in solution of Bu4NBr in acetonitrile”, International Conference". Paper presented in Modern Physical Chemistry for Advanced Materials, MPC-07, 2007.
Journal article	Figueiredo, Nádia M.; Voroshylova, Iuliia V.; Ferreira, Elisabete S.C.; Fonseca, Andreia da Palma; Marques, Jorge M.C.; Cordeiro, M. Natália D.S.. "Properties and interactions of magnetic ionic Liquids: Focus on greenhouse gas capture from MD simulations". Separation and Purification Technology 364 (2025): 132329. https://doi.org/10.1016/j.seppur.2025.132329. 10.1016/j.seppur.2025.132329 Iuliia V. Voroshylova; Elisabete S. C. Ferreira; M. Natália D. S. Cordeiro. "Influence of Deep Eutectic Solvent Composition on Micelle Properties: A Molecular Dynamics Study". Molecules (2025): https://doi.org/10.3390/molecules30030574. 10.3390/molecules30030574 Kristína Tancárová; Iuliia V. Voroshylova; Lukas Bucinsky; Michal Malcek. "Hydrogen binding on the B36 borophene nanoflake decorated with first row transition metal atoms: DFT, QTAIM and AIMD study". FlatChem (2025): https://doi.org/10.1016/j.flatc.2024.100799. 10.1016/j.flatc.2024.100799 Figueiredo, Nádia; Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Andreia da Palma Fonseca; Marques, Jorge M. C. ; Cordeiro, M. Natalia D. S.. "Magnetic Ionic Liquids for greenhouse gases capture: Insights from MD simulations". Separation and Purification Technology (2025): Under revision Eudes Eterno Fileti; Iuliia V. Voroshylova; M. Natália D. S. Cordeiro; Thaciana Malaspina. "A computational study of the ternary mixtures of NaPF6–EC and choline glycine ionic liquid". Physical Chemistry Chemical Physics (2025): https://doi.org/10.1039/D4CP04061A. Published • 10.1039/D4CP04061A Karu, Karl; Nerut, Eva Roos; Tao, Xueran; Kislenko, Sergei A.; Pohako-Esko, Kaija; Voroshylova, Iuliia V.; Ivaništšev, Vladislav B.. "Ionic liquid–electrode interface: Classification of ions, saturation of layers, and structure-determined potentials". Electrochimica Acta 503 (2024): 144829. http://dx.doi.org/10.1016/j.electacta.2024.144829. Published • 10.1016/j.electacta.2024.144829 Eudes Eterno Fileti; Iuliia V. Voroshylova; Elisabete S.C. Ferreira; M. Natália D.S. Cordeiro; Thaciana Malaspina. "Ab initio molecular dynamics study of hydroxyl positioning in butanediol and its impact on deep eutectic solvent structure". Journal of Molecular Liquids (2024): https://doi.org/10.1016/j.molliq.2024.125548. 10.1016/j.molliq.2024.125548 Elisabete S.C. Ferreira; Iuliia V. Voroshylova; M.Natália D.S. Cordeiro; Ferreira, E.S.C.; Voroshylova, I.V.; Cordeiro, N.M.D.S.. "Probing the interface of choline chloride-based deep eutectic solvent ethaline with gold surfaces: A molecular dynamics simulation study". Surfaces and Interfaces (2024): https://doi.org/10.1016/j.surfin.2024.104051. 10.1016/j.surfin.2024.104051 Figueiredo, Nádia; Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Jorge Manuel Campos Marques; Cordeiro, M. Natalia D. S.. "Magnetic Ionic Liquids: Current Achievements and Future Perspectives with a Focus on Computational Approaches". Chemical Reviews (2024): https://doi.org/10.1021/acs.chemrev.3c00678. Accepted • 10.1021/acs.chemrev.3c00678 Thaciana Malaspina; Iuliia V. Voroshylova; M. Natália D.S. Cordeiro; Eudes Eterno Fileti. "Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations". Journal of Molecular Liquids (2023): https://doi.org/10.1016/j.molliq.2023.122946. 10.1016/j.molliq.2023.122946 Ers, Heigo; Voroshylova, Iuliia V.; Pikma, Piret; Ivaništšev, Vladislav B.. "Double layer in ionic liquids: Temperature effect and bilayer model". Journal of Molecular Liquids 363 (2022): 119747. http://dx.doi.org/10.1016/j.molliq.2022.119747. Published • 10.1016/j.molliq.2022.119747 Amit Kumar Halder; Reza Haghbakhsh; Iuliia V. Voroshylova; Ana Rita C. Duarte; Maria Natalia D. S. Cordeiro. "Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents". Molecules (2022): https://doi.org/10.3390/molecules27154896. 10.3390/molecules27154896 Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; Isabel Seguro; Maria Natália D. S. Cordeiro; Cristina Delerue-Matos. "Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection". Molecules 27 10 (2022): 3315. https://doi.org/10.3390/molecules27103315. Open access • Published • 10.3390/molecules27103315 Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; André Melo; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "A simple electrochemical detection of atorvastatin based on disposable screen-printed carbon electrodes modified by molecularly imprinted polymer: Experiment and simulation". Analytica Chimica Acta (2022): https://doi.org/10.1016/j.aca.2021.339410. 10.1016/j.aca.2021.339410 Vitaly V. Chaban; Nadezhda A. Andreeva; Iuliia V. Voroshylova. "Ammonium-, phosphonium- and sulfonium-based 2-cyanopyrrolidine ionic liquids for carbon dioxide fixation". Physical Chemistry Chemical Physics (2022): https://doi.org/10.1039/D2CP00177B. 10.1039/D2CP00177B Amit Kumar Halder; Reza Haghbakhsh; Iuliia V. Voroshylova; Ana Rita C. Duarte; M. Natalia D. S. Cordeiro. "Density of Deep Eutectic Solvents: The Path Forward Cheminformatics-Driven Reliable Predictions for Mixtures". Molecules (2021): https://doi.org/10.3390/molecules26195779. 10.3390/molecules26195779 Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "Development of a molecular imprinted electrochemiluminescence sensor for amitriptyline detection: from MD simulations to experimental implementation". Electrochimica Acta (2021): 139273-139273. https://doi.org/10.1016/j.electacta.2021.139273. 10.1016/j.electacta.2021.139273 Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Nádia M. Figueiredo; M. Natália D. S. Cordeiro. "Molecular dynamic study of alcohol-based deep eutectic solvents". The Journal of Chemical Physics (2021): https://doi.org/10.1063/5.0058561. 10.1063/5.0058561 Iuliia V. Voroshylova; Heigo Ers; Volodymyr A. Koverga; Borja Docampo-Álvarez; Piret Pikma; Vladislav B. Ivaništšev; M. Natália D.S. Cordeiro. "Ionic liquid-metal interface: the origins of capacitance peaks". Electrochimica Acta (2021): https://doi.org/10.1016/j.electacta.2021.138148. Published • 10.1016/j.electacta.2021.138148 Iuliia V. Voroshylova; Heigo Ers; Borja Docampo-Álvarez; Piret Pikma; Vladislav B. Ivaništšev; M. Natália D.S. Cordeiro. "Hysteresis in the MD Simulations of Differential Capacitance at the Ionic Liquid–Au Interface". The Journal of Physical Chemistry Letters (2020): https://doi.org/10.1021/acs.jpclett.0c03212. 10.1021/acs.jpclett.0c03212 Iuliia V. Voroshylova. "Rational development of molecular imprinted carbon paste electrode for Furazolidone detection: theoretical and experimental approach". Sensors and Actuators B: Chemical (2020): 129112-129112. http://dx.doi.org/10.1016/j.snb.2020.129112. 10.1016/j.snb.2020.129112 Ferreira, E.S.C.; Voroshylova, I.V.; Figueiredo, N.M.; Pereira, C.M.; Cordeiro, M.N.D.S.; Ferreira, Elisabete S.C.; Iuliia V. Voroshylova; et al. "Computational and experimental study of propeline: A choline chloride based deep eutectic solvent". Journal of Molecular Liquids 298 (2020): 111978. http://www.scopus.com/inward/record.url?eid=2-s2.0-85075344735&partnerID=MN8TOARS. Published • 10.1016/j.molliq.2019.111978 Figueiredo, Nádia M.; Iuliia V. Voroshylova; Koverga, Volodymyr A.; Ferreira, Elisabete S.C.; Cordeiro, M. Natália D.S.. "Influence of alcohols on the inter-ion interactions in ionic liquids: A molecular dynamics study". Journal of Molecular Liquids 294 (2019): 111538. http://dx.doi.org/10.1016/j.molliq.2019.111538. Published • 10.1016/j.molliq.2019.111538 Iuliia V. Voroshylova; Lembinen, Meeri; Ers, Heigo; Mišin, Maksim; Koverga, Volodymyr A.; Pereira, Carlos M.; Ivaništšev, Vladislav B.; Cordeiro, M. Natália D.S.. "On the role of the surface charge plane position at Au(hkl)–BMImPF6 interfaces". Electrochimica Acta 318 (2019): 76-82. http://dx.doi.org/10.1016/j.electacta.2019.05.058. Published • 10.1016/j.electacta.2019.05.058 Koverga, V.A.; Voroshylova, I.V.; Smortsova, Y.; Miannay, F.-A.; Cordeiro, M.N.D.S.; Idrissi, A.; Kalugin, O.N.. "Local structure and hydrogen bonding in liquid ¿-butyrolactone and propylene carbonate: A molecular dynamics simulation". Journal of Molecular Liquids 287 (2019): http://www.scopus.com/inward/record.url?eid=2-s2.0-85065918336&partnerID=MN8TOARS. 10.1016/j.molliq.2019.110912 Roos Nerut, Eva; Karu, Karl; Iuliia V. Voroshylova; Kirchner, Kathleen; Kirchner, Tom; Fedorov, Maxim; Ivaništšev, Vladislav. "NaRIBaS—A Scripting Framework for Computational Modeling of Nanomaterials and Room Temperature Ionic Liquids in Bulk and Slab". Computation 6 4 (2018): 57. http://dx.doi.org/10.3390/computation6040057. Open access • Published • 10.3390/computation6040057 Ruzanov, A.; Lembinen, M.; Jakovits, P.; Srirama, S.N.; Voroshylova, I.V.; Cordeiro, M.N.D.S.; Pereira, C.M.; Rossmeisl, J.; Ivaništšev, V.B.. "On the thickness of the double layer in ionic liquids". Physical Chemistry Chemical Physics 20 15 (2018): 10275-10285. http://www.scopus.com/inward/record.url?eid=2-s2.0-85045849666&partnerID=MN8TOARS. 10.1039/c7cp07939g Voroshylova, I.V.; Ferreira, E.S.C.; Malcek, M.; Costa, R.; Pereira, C.M.; Cordeiro, M.N.D.S.. "Influence of the anion on the properties of ionic liquid mixtures: A molecular dynamics study". Physical Chemistry Chemical Physics 20 21 (2018): 14899-14918. http://www.scopus.com/inward/record.url?eid=2-s2.0-85048005993&partnerID=MN8TOARS. 10.1039/c8cp01541d Costa, R.; Voroshylova, I.V.; Cordeiro, M.N.D.S.; Pereira, C.M.; Silva, A.F.. "Enhancement of differential double layer capacitance and charge accumulation by tuning the composition of ionic liquids mixtures". Electrochimica Acta 261 (2018): 214-220. http://www.scopus.com/inward/record.url?eid=2-s2.0-85039424279&partnerID=MN8TOARS. 10.1016/j.electacta.2017.12.134 Ferreira, E.S.C.; Voroshylova, I.V.; Koverga, V.A.; Pereira, C.M.; Cordeiro, M.N.D.S.. "New Force Field Model for Propylene Glycol: Insight to Local Structure and Dynamics". Journal of Physical Chemistry B 121 48 (2017): 10906-10921. http://www.scopus.com/inward/record.url?eid=2-s2.0-85037748152&partnerID=MN8TOARS. 10.1021/acs.jpcb.7b08251 Voroshylova, I.V.; Teixeira, F.; Costa, R.; Pereira, C.M.; Cordeiro, M.N.D.S.. "Interactions in the ionic liquid [EMIM][FAP]: A coupled experimental and computational analysis". Physical Chemistry Chemical Physics 18 4 (2016): 2617-2628. http://www.scopus.com/inward/record.url?eid=2-s2.0-84955493957&partnerID=MN8TOARS. 10.1039/c5cp06027c Ferreira, E.S.C.; Voroshylova, I.V.; Pereira, C.M.; Cordeiro, M.N.D.S.. "Improved force field model for the deep eutectic solvent ethaline: Reliable physicochemical properties". Journal of Physical Chemistry B 120 38 (2016): 10124-10137. http://www.scopus.com/inward/record.url?eid=2-s2.0-85017369195&partnerID=MN8TOARS. 10.1021/acs.jpcb.6b07233 Voroshylova, I.V.; Smaga, S.R.; Lukinova, E.V.; Chaban, V.V.; Kalugin, O.N.. "Conductivity and association of imidazolium and pyridinium based ionic liquids in methanol". Journal of Molecular Liquids 203 (2015): 7-15. http://www.scopus.com/inward/record.url?eid=2-s2.0-84920096773&partnerID=MN8TOARS. 10.1016/j.molliq.2014.12.028 Chaban, V.V.; Voroshylova, I.V.. "Systematic refinement of canongia lopes-pádua force field for pyrrolidinium-based ionic liquids". Journal of Physical Chemistry B 119 20 (2015): 6242-6249. http://www.scopus.com/inward/record.url?eid=2-s2.0-84930203993&partnerID=MN8TOARS. 10.1021/jp5122678 Voroshylova, I.V.; Chaban, V.V.. "Atomistic force field for pyridinium-based ionic liquids: Reliable transport properties". Journal of Physical Chemistry B 118 36 (2014): 10716-10724. http://www.scopus.com/inward/record.url?eid=2-s2.0-84910057643&partnerID=MN8TOARS. 10.1021/jp5054875 Kalugin, O.N.; Voroshylova, I.V.; Riabchunova, A.V.; Lukinova, E.V.; Chaban, V.V.. "Conductometric study of binary systems based on ionic liquids and acetonitrile in a wide concentration range". Electrochimica Acta 105 (2013): 188-199. http://www.scopus.com/inward/record.url?eid=2-s2.0-84878311330&partnerID=MN8TOARS. 10.1016/j.electacta.2013.04.140 Hantal, G.; Voroshylova, I.; Cordeiro, M.N.D.S.; Jorge, M.. "A systematic molecular simulation study of ionic liquid surfaces using intrinsic analysis methods". Physical Chemistry Chemical Physics 14 15 (2012): 5200-5213. http://www.scopus.com/inward/record.url?eid=2-s2.0-84858973681&partnerID=MN8TOARS. 10.1039/c2cp23967a Chaban, V.V.; Voroshylova, I.V.; Kalugin, O.N.; Prezhdo, O.V.. "Acetonitrile boosts conductivity of imidazolium ionic liquids". Journal of Physical Chemistry B 116 26 (2012): 7719-7727. http://www.scopus.com/inward/record.url?eid=2-s2.0-84863612319&partnerID=MN8TOARS. 10.1021/jp3034825 Kalugin, Oleg N.; Iuliia V. Voroshylova; Riabchunova, Anastasiia V.; Lukinova, Elena V.; Chaban, Vitaly V.. "Marcoscopic properties and microscopic structure of binary systems based on ionic liquids and acetonitrile". Voprosy Khimii i Khimicheskoi Tekhnologii (Issues of Chemistry and Chemical Technology) 4 1 (2011): 220-222. Open access • Published Chaban, V.V.; Voroshylova, I.V.; Kalugin, O.N.. "A new force field model for the simulation of transport properties of imidazolium-based ionic liquids". Physical Chemistry Chemical Physics 13 17 (2011): 7910-7920. http://www.scopus.com/inward/record.url?eid=2-s2.0-79956044480&partnerID=MN8TOARS. 10.1039/c0cp02778b Iuliia V. Voroshylova; Dakhova, K. O.; Chaban, Vitaly V.; Kalugin, Oleg N.. "Conductivity and association of imidazolium and piridinium ionic liquids in acetonitrile". Kharkov University Bulletin Chemical Series 895 18(41) (2010): 159-163. http://chembull.univer.kharkov.ua/archiv/2010/19.pdf. Published Iuliia V. Voroshylova; Dakhova, K. O.; Kalugin, Oleg N.. "Electrolytes for chemical current sources based on ionic liquids: 1-butyl-3-methylimidazolium bromide solutions in acetonitrile". Kharkov University Bulletin Chemical Series 870 17(40) (2009): 185-188. http://chembull.univer.kharkov.ua/archiv/2009/17.pdf. Published Iuliia V. Voroshylova; Kalugin, Oleg N.; Artemkina, I. M.; Shcherbakov, V.V.; Pleshkova, N. V.; Seddon, K. R.. "Ionic liquids based on 1-alkyl-3-methyl-imidazolium as agent for electrochemical devices". Chernivtsi University Bulletin. Chemistry 401 (2008): 11-13. http://ibhb.chnu.edu.ua/zhurnal-naukovii-visnik-chnu-seriia-himiia. Published Artemkina, I. M.; Iuliia V. Voroshylova; Pleshkova, N. V.; Kalugin, Oleg N.; Seddon, K. R.; Shcherbakov, V.V.. "Association of some ionic liquids in acetonitrile by conductometric study". Uspekhi Khimii i Khimicheskoi Tekhnologii (Progress in Chemistry and Chemical Technology) 22 3 (2008): 11-16. https://istina.msu.ru/publications/article/80001325/. Published
Manual	Eltsov, S. V.; Vodolazkaya, N. A.; Iuliia V. Voroshylova; Vasilets, G. Yu.; Korsun, A. N.; Kravchenko, A. A.. Medical Chemistry: theory and laboratory exercises for the first module: manual. Kharkiv, Ukraine: V. N. Karazin Kharkiv National University. 2013. Published

Other

Other output

IONIC LIQUID-ELECTRODE INTERFACE: CLASSIFICATION OF IONS, SATURATION OF LAYERS, AND STRUCTURE-DETERMINED POTENTIALS. 2023. Karu, K.; Nerut, E.R.; Tao, X.; Kislenko, S.A.; Pohako-Esko, K.; Voroshylova, I.V.; Ivaništšev, V.B.. http://www.scopus.com/inward/record.url?eid=2-s2.0-85148432145&partnerID=MN8TOARS.
10.48550/arXiv.2302.00076

Activities

Oral presentation

	Presentation title	Event name Host (Event location)
2025/08/28	Screening Charged Surfaces in Ionic Liquids Mixtures: Molecular Dynamics of Ions Competition	The 38th European Conference on Surface Science - ECOSS 38 Faculty of Sciences of the University of Porto (Braga, Portugal)
2025/08/27	From advances in modeling double layer to optimizing energy density of supercapacitors	38th European Conference on Surface Science - ECOSS-38 Faculty of Sciences of the University of Porto (Braga, Portugal)
2024/10/11	PACEEP 37 : Molecular Dynamics for Electrode \| Electrolyte Interfaces	4 ème REUNION PLENIERES de la Fédération Hydrogène (FRH2) The French Research Network on Hydrogen Energy (La Grande-Motte, France)
2024/08/27	Magnetic ionic liquids for greenhouse gases capture: Insights from molecular dynamics simulations.	International Congress of Chemical and Process Engineering (CHISA 2024) Czech society of chemical engineering (Prague, Czech Republic)
2024/04/23	Ionic liquid–electrode interface: partial charge transfer, surface dipole, and quantum capacitance	29th EUCHEMS Conference on Molten Salts and Ionic Liquids, Euchemsil-2024 University of Santiago de Compostela, Faculty of Chemistry (Santiago de Compostela, Spain)
2024/04/23	Charge Screening at Ionic Liquid-Electrode Interfaces	29th EUCHEMS Conference on Molten Salts and Ionic Liquids, Euchemsil-2024 University of Santiago de Compostela, Faculty of Chemistry (Santiago de Compostela, Spain)
2024/04/14	Adsorption and structuring processes at single-crystal electrode \| ionic liquid interface – insights from simulations and in situ studies	8th Baltic Electrochemistry Conference: Finding New Inspiration 2 (BEChem 2024) Institute of Chemistry of University of Tartu; Estonian electrochemistry society Elektrokeemia Selts (Tartu, Estonia)
2023/11/22	Electrical double layer in ionic liquids: structures, potentials, and applications	ILMAT2023 \| 7th International Conference on Ionic Liquid-Based Materials - 21st - 24th November 2023 Instituto Pernambuco
2023/11/22	Molecular dynamics simulation of surface charge screening in Ionic liquids mixtures: competition of ions	ILMAT2023 \| 7th International Conference on Ionic Liquid-Based Materials - 21st - 24th November 2023 Instituto Pernambuco (Porto, Portugal)
2023/10/25	Molecularly imprinted sensors for electrochemical analysis of pharmaceuticals in environmental waters.	The 3rd edition of the Sensors Technologies International conference - Sensors 2023 (Albufeira, Portugal)
2023/10/23	Atomistic insights into interfacial structure of a deep eutectic solvent confined between gold surfaces	3rd International Conference on Applied Science and Engineering, ICASE-2023 (Bangkok, Thailand)
2023/09/04	Competition of Ions on Screening Charged Surfaces in Ionic Liquids Mixtures: Molecular Dynamics Simulation	74th Annual Meeting of the International Society of Electrochemistry, ISE-74 International Society of Electrochemistry (Lyon, France)
2023/07/03	Computational study of the influence of temperature on EMImBF 4 - graphene interface: explanation in the framework of bilayer model	YOUNG MULTIS 2023 - Multiscale Phenomena in Condensed Matter online conference for young researchers (online) The Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences (Cracow, Poland)
2023/05/11	20810 \| Atomistic MD simulations of adsorption of greenhouse gases in magnetic ionic liquids	Investigação Jovem da U.Porto, IJUP-2023 Reitoria da Univerdidade do Porto (Porto, Portugal)
2023/04/25	Electrode \| ionic liquid interfaces – from packing of counter-ions to potentials of saturation charge	Congress on Ionic Liquids - COIL9 CNRS (Lyon, France)
2023/04/25	Electrode \| Ionic liquid interface – insights of capacitance-structure dependence from simulations and bilayer model	Congress on Ionic Liquids - COIL9 CNRS (Lyon, France)
2022/11/18	Interface between BmimPF 6 ionic liquid and gold metal surface from MD simulations perspective - QT01	XXVI Encontro galego-português de química Universidade de Santiago de Compostela, Colegio Oficial de Químicos de Galicia (Santiago de Compostela, Spain)
2022/07/22	Comparison of non-covalent interactions in ionic liquids mixtures and deep eutectic solvents: molecular dynamics study	5th International Conference on Green Chemistry and Sustainable Engineering (GreenChem-22) Universidad Nicolás de Cusa (Rome, Italy)
2022/06/01	L02-1958 - Relating the Ambient Temperature and Ionic Liquid Structure to the Changes of Capacitance Using Molecular Dynamics	241th ECS Meeting, 29 May - 2 June 2022 The Electrochemical Society (Vancouver, Canada)
2021/09/29	MD study of hydrogen bonding and structure in alternative solvents: ionic liquids mixtures vs. deep eutectic solvents	5th EuChemS Conference on Green and Sustainable Chemistry Association of Greek Chemists; EuChemS /Division of Green and Sustainable Chemistry; Hellenic Green Chemistry Network; Department of Chemistry, Aristotle University of Thessaloniki (Thessaloniki, Greece)
2021/08/29	Ionic Liquids-Metal Interface: Insights from MD Simulations	72nd Annual Meeting of International Society of Electrochemistry The Korean Electrochemical Soceity (Jeju Island, South Korea)
2018/11/07	Differential Capacitance at Au(hkl)-[BMIm][PF6] Interface: the Influence of Electrode Crystallography	7th Baltic Electrochemistry Conference: Finding New Inspiration - BEChem 2018 University of Tartu (Tartu, Estonia)
2018/10/29	Intrinsic Analysis of Fluid Interfaces Involving Ionic Liquids. Presentation ID: 166e	2018 AlChE Annual Meeting - AlChE + Chemical Engineering: Today, Tomorrow & Leading the Future David L. Lawrence Convention Center (Pittsburgh, PA, United States)
2018/04/18	Influence of the anion on ionic liquids mixtures properties: a molecular dynamics study. Presentation ID: OS24	2nd Advances in Green Chemistry Conference - AGChem 2018 Poznan Science and Technology Park (Poznan, Poland)
2016/07/08	Ionic liquids mixtures on charged interfaces. Presentation ID: OP-67	26th EUCHEM Conference on Molten Salts and Ionic Liquids, EUCHEM - 2016 Vienna University of Technology (Vienna, Austria)
2016/05/28	Interactions in the ionic liquids[EMIM][FAP]: a coupled experimental and computational analysis. Presentation ID: 3-50	7th International Conference Physics of Liquid Matter: Modern Problems, PLMMP - 2016 Taras Shevchenko National University of Kyiv (KNU) (Kiev, Ukraine)
2013/09/12	Structure and dynamics of the binary systems based on imidazolium room temperature ionic liquids with polar solvents	EMLG - JMLG annual meeting 2013 "Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation" University of Lille 1 – Sciences and Technologies (Lille, France)
2013/06/27	Macroscopic properties and microscopic structure of the binary systems of room temperature ionic liquids with molecular liquids	XIX International conference of chemical thermodynamics in Russia, RCCT - 2013 G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences (Moscow, Russia)
2013/06/25	Ionic association and electric conductivity in binary mixtures of ionic liquids with acetonitrile and methanol	XIX International conference of chemical thermodynamics in Russia, RCCT - 2013 G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences (Moscow, Russia)
2011/06/28	Conductivity and microscopic structure of binary systems based on methanol and acetonitrile with ionic liquids	XVIII Ukrainian conference on inorganic chemistry with participation of foreign scientists in frame of International year of Chemistry IYC V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)
2011/04/19	Conductivity of binary systems based on acetonitrile and ionic liquids	III All-Ukrainian Conference of students and post-graduate students "Karazin Chemical Readings" V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)
2011/04/18	Conductivity and ionic association of ionic liquids in methanol at temperatures 5 – 55 C	III All-Ukrainian Conference of students and post-graduate students "Karazin Chemical Readings" V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)
2010/10/10	The New Non-Polarizable Force Field Model of Imidazolium-Based Ionic Liquids. Abstract 575	218th ECS Meeting, B6 - Non-Aqueous Electrolytes for Lithium Batteries The Electrochemical Society (Las Vegas, Nevada, United States)
2010/05/11	Simulation of the transport coefficients of imidazoliumbased ionic liquids	VIII All-Ukrainian Conference of young scientists, students and postgraduate students on the relevant questions in chemistry Institute for Single Crystals National Academy of Science of Ukraine (Kharkiv, Ukraine)
2010/04/19	Conductivity and association of ionic liquids in acetonitrile	II All-Ukrainian Conference of students and post-graduate students "Karazin Chemical Readings" V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)
2009/09/22	Electrolytes for chemical current sources based on ionic liquids: the solutions of 1-buthyl-3-methyl-imidazolium bromide in acetonitrile	Youth electrochemical forum V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)

Supervision

	Thesis Title Role	Degree Subject (Type) Institution / Organization
2024/02/12 - 2024/06/28	Co-supervision of traineeship project "Computer simulation of green electrolytes with electrochemical applications" Co-supervisor of Maria Júlia Brandão Pereira de Oliva Menezes	Licenciatura em química (Other) Universidade do Porto Faculdade de Ciências, Portugal
2024/02/12 - 2024/06/28	Co-supervision of traineeship project "Computer simulation of green electrolytes with electrochemical applications" Co-supervisor of Inês Miguel Ferreira Sequeira	Licenciatura em Química (Other) Universidade do Porto Faculdade de Ciências, Portugal
2022/09 - 2023/11	Supervision of master's thesis "Estudo computacional de liquidos ionicos com anioes a base de metais para separação/absorpcao de gases" Supervisor of Andreia da Palma Fonseca	Química (Master) REQUIMTE LAQV Porto, Portugal Universidade do Porto Faculdade de Ciências, Portugal
2023/02/06 - 2023/07/04	Supervision of traineeship project "Molecular dynamics study of electrolytes "solvent-in-salt" for safe and high energy batteries" Supervisor of Diogo Filipe Gonçalves Cruz	Licenciatura em Física (Other) Universidade do Porto Faculdade de Ciências, Portugal
2023/02/06 - 2023/07/04	Supervision of traineeship project "Theoretical study of adsorption of surfactants on surfaces from green eutectic solvents" Supervisor of Guilherme Dias Barbosa	Licenciatura em Bioquímica (Other) Universidade do Porto Faculdade de Ciências, Portugal
2021/09 - 2022/11	Supervision of master's thesis "SISEs for safe and high energy batteries" Supervisor of Alex João Pinto de Loureiro Himmel	Química (Master) Universidade do Porto Faculdade de Ciências, Portugal
2022/02/21 - 2022/06/29	Supervision of traineeship project "Molecular dynamics study of electrolytes "solvent-in-salt" for safe and high energy batteries" Supervisor of Ana Sofia Dias Martins	Química (Other) Universidade do Porto Faculdade de Ciências, Portugal
2022/02/21 - 2022/06/29	Supervision of traineeship project "Molecular dynamics study of electrolytes "solvent-in-salt" for safe and high energy batteries" Supervisor of Luís Daniel Pinto Ferraz Ribeiro	Química (Other) Universidade do Porto Faculdade de Ciências, Portugal
2021 - 2021	Supervision of bachelor course project "Theoretical study of surfactantes' adsorption on the graphite surface from deep eutectic solvents" Supervisor of Ana Margarida Gomes Moreira Alves	Química (Degree) Universidade do Porto Faculdade de Ciências, Portugal
2017/11 - 2019/07	Co-supervision of master research project "Theoretical study of the effect of addition of solvents (water and alcohols) to ionic liquids" of a post-graduate fellow Co-supervisor of Náida Catarina Martins de Figueiredo	Universidade do Porto Faculdade de Ciências, Portugal
2019 - 2019	Co-supervision of bachelor course project "Electrolytes for batteries with optimized safety" Co-supervisor of Claudia Cristina Sanz Garcia	Química (Degree) Universidade do Porto Faculdade de Ciências, Portugal
2019 - 2019	Co-supervision of bachelor course project "Electrolytes for batteries with optimized safety" Co-supervisor of Alex João Pinto de Loureiro Himmel	Química (Degree) Universidade do Porto Faculdade de Ciências, Portugal
2015 - 2015	Co-supervision of bachelor course project "Theoretical study of solvent additions to ionic liquids" Co-supervisor of Ricardo José Tavares Santos	Química (Degree) Universidade do Porto Faculdade de Ciências, Portugal
2015 - 2015	Co-supervision of bachelor course project "Theoretical study of solvent additions to ionic liquids" Co-supervisor of Fábio Marcelo Carneiro Major	Química (Degree) Universidade do Porto Faculdade de Ciências, Portugal
2015 - 2015	Co-supervision of bachelor course project "Theoretical study of solvent additions to ionic liquids" Co-supervisor of Hugo Filipe da Rocha Macedo Carneiro	Química (Degree) Universidade do Porto Faculdade de Ciências, Portugal
2011/09/01 - 2012/07/06	Co-supervision of master's thesis "Dynamic structure of binary mixtures based on imidazolium ionic liquids and molecular liquids" Co-supervisor of Alexander Lipeiko	Chemistry, Inorganic Chemistry (Master) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2010/09/01 - 2011/07/06	Co-supervision of master's thesis "Physical and chemical properties and inter-particle interactions in a binary system ionic liquid - acetonitrile" Co-supervisor of Anastasiia Riabchunova	Chemistry, Inorganic Chemistry (Master) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2010/09/01 - 2011/07/03	Co-supervision of bachelor course work "Electrical conductivity and association in solutions of imidazole and pyridine based ionic liquids in methanol" Co-supervisor of Sergii Smaga	Chemistry, Inorganic Chemistry (Degree) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2009/09/01 - 2010/07/06	Co-supervision of master's thesis "Electrical conductivity and association in solutions of imidazole and pyridine based ionic liquids in acetonitrile" Co-supervisor of Kateryna Dakhova	Chemistry, Ionrganic Chemistry (Master) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2008/09/01 - 2009/07/06	Co-supervision of bachelor course work "Ionic association and conductivity of imidazole derivatives in non-aqueous solutions" Co-supervisor of Kateryna Dakhova	Chemistry, Inorganic Chemistry (Degree) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Event organisation

	Event name Type of event (Role)	Institution / Organization
2025/01 - 2025/08	Participation in organization of international conference The 38th European Conference on Surface Science - ECOSS 38 (2025/08/24 - 2025/08/29) Conference (Member of the Organising Committee)	Universidade do Porto Faculdade de Ciências, Portugal

Event participation

	Activity description Type of event	Event name Institution / Organization
2025/10/15 - Current	Participation in training session "Student Mental Health: The Role and Challenges of Teachers", 15 October, 2025 (1 hour). Seminar	Saúde Mental dos Estudantes: O Papel e os Desafios dos Docentes Universidade do Porto Faculdade de Ciências, Portugal
2025/01/21 - 2025/01/23	Participation in workshop "High-Performance Data Analytics in Python " which teaches tools and best practices for writing more performant, parallelised, robust, and reproducible data analysis pipelines for large datasets. This 3 half-day online workshop: provides an overview of working with research data using general libraries for storing, processing, analyzing and sharing data; focuses on improving performance; covers tools (netcdf, numpy, pandas, scipy) on single workstations and on parallel GPUs (snakemake, numba, dask, multiprocessing, mpi4py) Workshop	High-Performance Data Analytics in Python EuroCC National Competence Centre Sweden, Sweden
2024/11/28 - 2024/11/28	Participation in workshop "Introduction to Quantum Computing". This 3-hour workshop reviewed key quantum computing concepts, such as qubits, entanglement, interference, quantum gates, and variational quantum circuits. Workshop	https://enccs.se/events/introduction-to-quantum-computing-2024/ EuroCC National Competence Centre Sweden, Sweden
2024/11/05 - 2024/11/06	Attending O 4º Encontro RNCA (Rede Nacional de Computação Avançada) 2024, November 5-6, 2024, Covilhã, Universidade da Beira Interior. RNCA organizes this meeting annually for users, technicians and partners and provides news about the network, develops the national HPC ecosystem and provides a meeting point for all subjects in Advanced Computing Meeting	Fundacao de Computacao Cientifica Nacional, Portugal Universidade da Beira Interior, Portugal
2024/05/15 - 2024/05/26	Short term scientific visit to University of Santiago de Compostela with a project entitled "Optimization of chromium electrodeposition methods from dense ionic solvents for more efficient and environmentally friendly chromium plating: computational study." within the program IACOBUS	Universidade de Santiago de Compostela, Spain Universidade do Porto, Portugal Agrupación Europea de Cooperación Territorial – Galicia-Norte de Portugal (GNP-AECT), Spain
2024/03/20 - 2024/03/20	Participation in workshop "Ciber-resiliência". Main topics covered: Protection of Digital Identity and Intellectual Property; Classes of cyber-incidents; Good practices in the use of computer networks; How to generate and manage a password; "Phishing": what it is and how to avoid it; Teleworking and cybersecurity; Cybersecurity in organizations Workshop	Ciber-resiliência Universidade do Porto, Portugal
2023/11/07 - 2023/11/08	Attending O Encontro RNCA (Rede Nacional de Computação Avançada) 2023, November 7-8, 2023, Vila Real, Universidade de Trás-os-Montes e Alto-Douro. RNCA organizes this meeting annually for users, technicians and partners and provides news about the network, develops the national HPC ecosystem and provides a meeting point for all subjects in Advanced Computing. Meeting	Encontro RNCA 2023 Fundação para a Ciência e a Tecnologia, Portugal Fundacao de Computacao Cientifica Nacional, Portugal Universidade de Trás-os-Montes e Alto Douro, Portugal Rede Nacional de Computação Avançada, Portugal
2023/11/03 - 2023/11/03	Participation with an oral presentation in a Bilateral conference - Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto and Chemistry Graduate School, University Paris Saclay. The presentation addressed the Material Research Group's contributions, offering a comprehensive perspective on the work developed and opening the way for collaborations. Porto, Portugal, November 03, 2023. Congress	Universidade do Porto Departamento de Química e Bioquímica, Portugal Université Paris-Saclay, France
2023/10/31 - 2023/10/31	Participation with an oral presentation in a bilateral meeting between the permanent members of the Department of Chemistry and Biochemistry (DQB) and the Department of Chemical Engineering of the Faculty of Engineering of the University of Porto (FEUP). The presentation covered the contributions of the materials research group, offering a comprehensive perspective on the work carried out. Porto, Portugal, October 31, 2023. Meeting	Universidade do Porto Departamento de Química e Bioquímica, Portugal Universidade do Porto Departamento de Engenharia Química, Portugal
2023/09/03 - 2023/09/08	Participation in 74th Annual Meeting of International Society of Electrochemistry, ISE-74, with poster "From Saturation Parameters to Self-Consistent Bilayer Model of the Ionic Liquid - Electrode Interfaces" (I.V. Voroshylova, K. Karu, H. Ers, V. Ivaništšev), 3-8 September, 2023, France, Lyon. Conference	74th Annual Meeting of the International Society of Electrochemistry, ISE-74 International Society of Electrochemistry, Switzerland
2023/08/08 - 2023/08/11	Attending 8th LAMMPS Workshop and Symposium, August 8-11, 2023. Virtual event, hosted by Temple University. Each of the 4 days had a morning and afternoon sessions with lectures, hand-on and tutorials. Workshop	8th LAMMPS Workshop and Symposium Temple University, United States
2023/05/15 - 2023/05/26	Short term scientific visit to University of Santiago de Compostela with a project entitled "Development of electrolyte-electrode systems based on ionic liquids for new generation energy storage and transformation devices: computational study." within the program IACOBUS Other	IACOBUS Programe Universidade de Santiago de Compostela, Spain Universidade do Porto, Portugal Agrupación Europea de Cooperación Territorial – Galicia-Norte de Portugal (GNP-AECT), Spain
2023/05/17 - 2023/05/19	Participation with poster "GREENHOUSE GASES SOLUBILITY BY MAGNETIC IONIC LIQUIDS: MD SIMULATION STUDY" (A.P. Fonseca, N.M. Figueiredo, I.V. Voroshylova, M.N.D.S. Cordeiro) in 8th Portuguese Young Chemists Meeting, 8PYCheM, 17 - 19 May 2023, Universidade de Trás-os-Montes e Alto Douro Conference	8th Portuguese Young Chemistry Meeting, 8PYCheM Sociedade Portuguesa de Química, Portugal Universidade de Trás-os-Montes e Alto Douro, Portugal
2023/04/20 - 2023/04/23	Participation in Mostra da UP - 2023 as a tutor Exhibition	Mostra da UPORTO 2023 Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal
2023/03/31 - 2023/04/03	Participation with poster "FORCE FIELD VALIDATION METHODS FOR MOLECULAR DYNAMICS SIMULATIONS OF PHOSPHONIUM-BASED MAGNETIC IONIC LIQUIDS" (A.P. Fonseca, N.M. Figueiredo, I.V. Voroshylova, M.N.D.S. Cordeiro) at the National Meeting of Chemistry Students, ENEQUI-2023, March 31st to April 3rd, Faculty of Sciences, University of Porto Conference	Encontro Nacional de Estudantes de Química, ENEQUI-2023 Universidade do Porto Faculdade de Ciências, Portugal
2023/03/29 - 2023/03/29	Attending the technological exhibition of R&D and Innovation results from the entities of the National Innovation System (SNI) TECH4INNOV, "The Present and Future of Innovation in Portugal", Santa Maria da Feira, Portugal, March 29, 2023 Exhibition	TECH4INNOV Agência Nacional de Inovação SA, Portugal
2022/07/21 - 2022/07/22	Participation in workshop "Good Practices in Doctoral Orientation", 21-22 July, 2022 (2 modules, 6 hours). An opportunity to share constraints and problems daily experienced in the scope of doctoral supervision. 'Best Practices', making the orientation process more productive and satisfactory, minimizing the effort and stressors associated with this function are discussed. 1st module (3 hours): the analysis of trends, data, individual experiences and 'Best Practices' in this area; individual and group exercises. 2nd module: case studies in groups Workshop	Boas Práticas na Orientação Doutoral Universidade do Porto Faculdade de Ciências, Portugal
2022/07/07 - 2022/07/08	Attending MUG 2022 - MACC user group workshop, July 7-8, 2022, Porto, Portugal. The MACC is a member of the National Network for Advanced Computing, which aims to support the academic and business communities in the High-Performance Computing (HPC) field. MUG is a discussion forum to all potential users about HPC-related topics in Portugal and Europe. This event aims to foster a collaborative environment between different stakeholders, promoting the adoption of advanced computing technique and engagement with the operational team. Workshop	MUG 2022 Universidade do Minho Advanced Computing Center, Portugal
2022/04/21 - 2022/04/24	Participation in Mostra da UP - 2022 as a tutor Exhibition	Mostra da UPORTO 2022 Universidade do Porto, Portugal
2022/03/30 - 2022/03/30	Attending online webinar "Atomistic-scale simulations of realistic, complex, reactive materials: the ReaxFF reactive force field and its applications" from Materials Design, Inc, March 30, 2022 Seminar	Atomistic-scale simulations of realistic, complex, reactive materials: the ReaxFF reactive force field and its applications Materials Design, Inc, United States
2022/01/20 - 2022/01/20	Attending iRASPA/RASPA online workshop 2022, 20 January. This workshop/school focused on a practical understanding of visualization and molecular simulation of nanoporous materials and fluids, using iRASPA and RASPA. RASPA is well known for force field-based molecular simulation of adsorption and diffusion in nanoporous materials (such as MOFs and zeolites), as well as studying thermodynamic and transport properties of complex fluids. This 1-day workshop combines lectures and practice. Workshop	iRASPA/RASPA online workshop 2022 Universiteit van Amsterdam, Netherlands
2021/11/22 - 2021/11/25	Attending training course (online) "Introduction to Supercomputing at Jülich supercomputers (JSC) - Theory & Practice", 22 November - 25 November 2021 (Online) Workshop	Introduction to Supercomputing at JSC - Theory & Practice (training course, online) Forschungszentrum Jülich Jülich Supercomputing Centre, Germany
2021/11/11 - 2021/11/11	Participation in treining webinar "Recursos de Investigação nas áreas das Ciências e Engenharias: pesquisas avançadas", uma acão de formação, promovida pela EBSCO, 11 November 2021 Workshop	Recursos de Investigação nas áreas das Ciências e Engenharias: pesquisas avançadas EBSCO Information Services Spain, Spain
2021/10/07 - 2021/11/02	Attending Materials Design Annual User Group Meeting, which included 4 webinars ("Catalytic Processes for Sustainable Chemical and Fuels "; "Materials for Quantum Computing: An Interview with Prof. Chris Van de Walle"; "Post-DFT Accuracy for Finite Temperature Properties Using Incremental Machine Learning"; "Machine Learning and Molecular Dynamics") and 3 training sessions ("Classical Forcefield-based Methods"; "MedeA VASP and Battery Applications"; "MedeA Machine Learning Potential Generator (MLPG)", October 07, 2021 - November 02, 2021. Workshop	Materials Design Annual User Group Meeting Materials Design, Inc, United States
2021/08/29 - 2021/09/03	Presenting a poster "Capacitance Hysteresis in MD Simulations of BMImPF6\|Au(111) Interface " by I.V. Voroshylova, H. Ers, B. Docampo Alvarez, P. Pikma, V.B. Ivani¿t¿ev, M.N.D.S. Cordeiro at hybrid conference 72st Annual Meeting of the International Society of Electrochemistry, Jeju Island, Korea, 29 August - 03 September 2021. Poster ID: s20-015 Conference	72nd Annual Meeting of International Society of Electrochemistry The Korean Electrochemical Society, South Korea
2021/08/10 - 2021/08/13	Attending The 7th LAMMPS Workshop and Symposium, 10 August - 13 August 2021 (Online) Workshop	The 7th LAMMPS Workshop and Symposium Temple University, United States
2021/06/07 - 2021/06/17	Attending 16th Granada Seminar on Computational Physics "New Frontiers in Nonequilibrium Statistical Physics: from fundamentals, fluctuations, and hydrodynamics to biology and quantum nonequilibrium", 7 June - 17 June 2021 (Online) Seminar	16th Granada Seminar The Institute Carlos I for Theoreti al and Computational Physics, Spain
2021/05/20 - 2021/05/20	Attending symposium "Physics and Chemistry of Electrified Interfaces", 20 May 2021 Symposium	Physics and Chemistry of Electrified Interfaces The Thomas Young Centre, United Kingdom
2021/05/13 - 2021/05/13	Participation in webinar "Good practices in technology and knowledge transfer", 13 May 2021	Ciclo de workshops regionais: boas práticas em transferência de tecnologia e conhecimento Agência Nacional de Inovação SA, Portugal
2020/08/30 - 2020/09/04	Presenting a poster "Reliable Differential Capacitance from Computer Simulation of Ionic Liquid Confined Between Charged Electrodes" by I.V. Voroshylova, H. Ers, V. Ivaništšev, C.M. Pereira, M.N.D.S. Cordeiro at online conference 71st Annual Meeting of the International Society of Electrochemistry – BelgradeOnline, Belgrade, Serbia, 30 August - 04 September 2020. Poster ID: s07-046 Conference	71st Annual Meeting - International Society of Electrochemistry Univerzitet u Beogradu, Serbia International Society of Electrochemistry, Switzerland
2020/08/30 - 2020/09/04	Presenting a poster "Molecular Dynamics Simulation of Ionic Liquid at Electrified Interface: Impact of Electrode Surface Crystallography" by I.V. Voroshylova, M. Lembinen, H. Ers, V. Ivaništšev, C.M. Pereira, M.N.D.S. Cordeiro at online conference 71st Annual Meeting of the International Society of Electrochemistry – BelgradeOnline, Belgrade, Serbia, 30 August - 04 September 2020. Poster ID: s19-097 Conference	71st Annual Meeting - International Society of Electrochemistry Univerzitet u Beogradu, Serbia International Society of Electrochemistry, Switzerland
2020/06/30 - 2020/07/01	Participation in online workshop "Introduction to Biomolecular modeling and Molecular dynamics in HPC (Classic and Quantum)", 30 Jun 2020 - 1 Jul 2020 Workshop	Introduction to Biomolecular modeling and Molecular dynamics in HPC Partnership for Advanced Computing In Europe, Belgium
2019/04/04 - 2019/04/07	Participation in Mostra da UP - 2019 as a tutor Exhibition	Mostra da UPORTO 2019 Universidade do Porto, Portugal
2018/04/16 - 2018/04/19	Presenting a poster "Theoretical study of the addition of solvents to ionic liquids" by N.M. Figueiredo, I.V. Voroshylova, M.N.D.S. Cordeiro at 2nd Advances in Green Chemistry Conference – AGChem 2018, Poznan, Poland, 16-19 April 2018. Poster ID: P_016 Conference	2nd Advances in Green Chemistry Conference – AGChem 2018 Poznanski Park Naukowo-Technologiczny, Poland
2018/04/18 - 2018/04/18	Participation in Mostra da UP - 2018 as a tutor Exhibition	Mostra da UPORTO 2018 Universidade do Porto, Portugal
2017/12/18 - 2017/12/20	Participation in workshop on Emerging Technologies for Energy, ETE-2017, 18-20 December 2017 Workshop	ETE-2017 - Workshop on Emerging Technologies for Energy Universidade do Porto Faculdade de Ciências, Portugal
2017/12/11 - 2017/12/13	Presenting a poster "Computer simulations for estimating of differential capacitance in ionic liquids" by I. V. Voroshylova, M. Mišin, V. Ivaništšev, M. Lembinen, C. M. Pereira, M.N.D.S. Cordeiro at CECAM workshop "Physics and Chemistry at Fluid/Fluid Interfaces", 11-13 December 2017 Workshop	CECAM workshop "Physics and Chemistry at Fluid/Fluid Interfaces" Erwin-Schrödinger-Institut für Mathematische Physik, Austria
2017/08/07 - 2017/08/20	Scientific visit to deepen the collaboration with the Electrochemistry Group of University of Tartu Other	Tartu Ülikool, Estonia
2017/07/17 - 2017/07/21	Presenting a poster "Estimating differential capacitance of the electric double layer in ionic liquids using computer simulations" by I.V. Voroshylova, M. Mišin, V. Ivaništšev, M. Lembinen, C.M. Pereira, M.N.D.S. Cordeiro at 10th Liquid Matter Conference, Liquids - 2017, Ljubljana, Slovenia, 17-21 July 2017. Poster ID: 7.010 Conference	10th Liquid Matter Conference, Liquids - 2017 Institut Jožef Stefan, Slovenia Univerza v Ljubljani, Slovenia
2017/02/07 - 2017/02/10	Participation with a poster "Ionic Liquids on Charged Interfaces: Molecular Dynamics Simulation" by I. V. Voroshylova, V. Ivaništšev, C. M. Pereira, M. N. D.S. Cordeiro in Ionic Liquids Winter School, ILWS2017, 07-10 February 2017 Workshop	Ionic Liquids Winter School, ILWS2017 Universidade do Porto Departamento de Química e Bioquímica, Portugal
2016/07/03 - 2016/07/08	Presenting a poster "Molecular dynamics of ethaline: reliable physico-chemical properties" by E. S. C. Ferreira, I. V. Voroshylova. C. M. Pereira, M. N. D. S. Cordiero at 26th EUCHEM Conference on Molten Salts and Ionic Liquids, EUCHEM - 2016, Vienna, Austria, 3-8 July 2016. Poster ID: PP-78 Conference	Conference on Molten Salts and Ionic Liquids, EUCHEM - 2016 Royal Society of Chemistry, United Kingdom
2016/03/01 - 2016/03/31	Short term scientific mission (STSM) entitled "MD simulations of ionic liquids mixtures at charged interfaces" within the COST-EXIL (Exchange on Ionic Liquids) action CM1206 Other	Tartu Ülikool, Estonia
2015/07/12 - 2015/07/21	Presenting a poster "INTERACTIONS IN THE IONIC LIQUID [EMIM][FAP]: A COUPLED EXPERIMENTAL AND COMPUTATIONAL ANALYSIS" by I. V. Voroshylova, F. Teixira, R. Costa, C. M. Pereira, M. N. D. S. Cordeiro at Collaborative Computational Project for simulations of condensed phases - CCP5 - Summer School, with advanced course on Ab initio methods, 12 - 21 July 2015 Workshop	CCP5 - Summer School The University of Manchester School of Chemistry, United Kingdom
2012/09/11 - 2012/09/14	Presenting a poster "Transport properties and ionic clusters in mixtures of imidazolium-based ionic liquids with acetonitrele by means of molecular dynamics simulations" by I. V. Voroshylova, V. V. Chaban, O. N. Kalugin at 6th International conference on material science and condensed matter physics, Chisinau, Moldova, 11 - 14 September 2012. Poster ID: MSP 39 P Conference	6th International conference on material science and condensed matter physics Academia de Stiinte a Moldovei Institutului de Fizica Aplicata, Moldova Universitatea de Stat din Moldova, Moldova
2010/09/05 - 2010/09/09	Presenting a poster "The new force field model for imidazolium based ionic liquids" by I.V. Voroshylova, V.V. Chaban, O.N. Kalugin at 28th EMLG-JMLG Annual Meeting 2010, "Complex liquids: modern trends in exploration, understanding and application", Lviv, Ukraine, September 5 – 9, 2010. Poster ID: P 52 Conference	28th EMLG-JMLG Annual Meeting 2010, "Complex liquids: modern trends in exploration, understanding and application" Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, Ukraine Lvivskij Natsionalnyj Universitet imeni Ivana Franka, Ukraine Nacional'nij universitet L'vivs'ka politehnika, Ukraine
2009/05/31 - 2009/06/04	Presenting a poster "Microscopic structure and ion dynamics in 1-ethyl-3methyl-imidazolium tetrafluoroborate and 1-buthyl-3methyl-imidazolium tetrafluoroborate room temperature ionic liquids" by I.V. Voroshylova and O. N. Kalugin at 5th scientific international conference in chemistry "Kiev-Toulouse", Kiev, Ukraine, May 31 – June 4, 2009 Conference	5th scientific international conference in chemistry "Kiev-Toulouse" Kiivs'kij nacional'nij universitet imeni Tarasa Sevcenka, Ukraine
2007/07/01 - 2007/07/06	Presenting a poster "Problems of interpretation of conductance of Bu4NBr in acetonitrile in the range of moderate and high concentrations" by E.V. Lukinova, J.V. Usina, O.N. Kalugin at XVI International Conference on chemical thermodynamics in Russia, RCCT-2007, Suzdal, Russia, July 1-6, 2007 Conference	XVI International Conference on chemical thermodynamics in Russia, RCCT-2007
2007/06/26 - 2007/06/30	Presenting a poster "Conductivity and interparticle interactions in solution of Bu4NBr in acetonitrile”, International Conference " by E.V. Lukinova, Y.V. Usina, O.N. Kalugin at International Conference "Modern Physical Chemistry for Advanced Materials", MPC-07, Kharkiv, Ukraine, June 26 - 30, 2007 Conference	Modern Physical Chemistry for Advanced Materials", MPC-07 Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Jury of academic degree

	Topic Role	Candidate name (Type of degree) Institution / Organization
2023/10/26	Advisory member (Vogal Orientador) for the master's thesis "Computational study of ionic liquids with metal-based anions for gas separation/absorption", for the Master's degree in Chemistry (M:Q) by Andreia da Palma Fonseca. Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto. October 26, 2023. Supervisor	Andreia da Palma Fonseca (Master) Universidade do Porto Departamento de Química e Bioquímica, Portugal
2023/07/26	Principal referee (Arguente principal) for the final course project "Structural and chemical diversity of carbon allotropes", for the degree in Chemistry (L:Q) by André Oliveira da Silva Terra. Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto. July 2023. (Thesis) Arguer	André Oliveira da Silva Terra (Other) Universidade do Porto Faculdade de Ciências, Portugal Universidade do Porto Departamento de Química e Bioquímica, Portugal

Committee member

	Activity description Role	Institution / Organization
2023/01 - 2026/01	Member of the Researchers' Committee (CdI) of the Department of Chemistry and Biochemistry (DQB) of the Faculty of Sciences of the University of Porto. The aims of the CdI are to organize and disseminate initiatives relating to the DQB's Doctoral Researchers, to represent the interests of Doctoral Researchers and to improve the working conditions of Doctoral Researchers. Member	Universidade do Porto Departamento de Química e Bioquímica, Portugal

Course / Discipline taught

	Academic session	Degree Subject (Type)	Institution / Organization
2023/09 - 2024/10	Computational Chemistry	Química (Mestrado integrado)	Universidade do Porto Faculdade de Ciências, Portugal
2023 - 2024	Atomic and Molecular Structure	Licenciatura em Química (Licenciatura)	Universidade do Porto Faculdade de Ciências, Portugal
2020 - 2023	Biological Physical Chemistry Laboratory	Bioquímica (Licenciatura)	Universidade do Porto Faculdade de Ciências, Portugal
2012/09/01 - 2013/08/31	Medicinal Chemistry for foreign students (in English)	(Bachelor)	Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2008/01/15 - 2008/07/03	Molecular dynamics simulation of condensed non-organized media	(Master)	Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Journal scientific committee

	Journal title (ISSN)	Publisher
2024/11 - Current	Applied Sciences (2076-3417 )	MDPI
2024/09 - Current	International Journal of Quantum Chemistry (1097-461X)	Wiley
2024/07 - Current	Materials (1996-1944)	MDPI
2024/07 - Current	ACS Applied Nano Materials Journal (2574-0970)	ACS
2024/07 - Current	Talanta (1873-3573)	Elsevier
2024/06 - Current	Journal of Computational Biophysics and Chemistry (2737-4173)	World Scientific
2024/04 - Current	Journal of Energy Storage (2352-152X)	Elsevier
2024/04 - Current	Polymers (2073-4360)	MPDI
2024/04 - Current	Microchemical Journal (1095-9149)	Elsevier
2024/03 - Current	Chemical Engineering Science (0009-2509)	Elsevier
2024/03 - Current	RSC Advances (2046-2069)	RSC
2024/02 - Current	Theoretical Chemistry Accounts (1432-2234)	Springer
2024/01 - Current	ChemElectroChem (2196-0216)	Wiley-VCH
2023/12 - Current	The Journal of Environmental Chemical Engineering (2213-3437)	Eslevier
2023/11/24 - Current	Liquids (2673-8015 )	MDPI
2023/09/27 - Current	Chemical Engineering Journal (1385-8947)	Elsevier
2023/09/19 - Current	ACS Sustainable Chemistry & Engineering (2168-0485)	American Chemical Society
2023/09/18 - Current	Journal of Engineering and Applied Science (2536-9512)	Springer
2023/09/08 - Current	Molecular Systems Design & Engineering ( 2058-9689)	Royal Soceity of Chemistry
2023/06 - Current	Applied Surface Science (1873-5584)	Elsevier
2023/06 - Current	Molecules (1420-3049)	MDPI
2023/04 - Current	Journal of Molecular Graphics and Modelling (1093-3263)	Elsevier
2023/03 - Current	Processes (2227-9717)	MDPI
2023/02 - Current	Computational and Theoretical Chemistry (2210-271X)	Elsevier
2022/09 - Current	Molecular Simulation (10290435)	Taylor & Francis
2022/06 - Current	Journal of Molecular Structure (0022-2860)	Elsevier
2022/02/14 - Current	Elecrtochimica Acta (0013-4686)	Elsevier
2021/12/02 - Current	Scientific Reports (2045-2322)	Nature Portfolio
2021/10 - Current	Materials Advances (2633-5409)	Royal Society of Chemistry
2020/06/21 - Current	Chemical Physics (0301-0104)	Elsevier
2020/05/08 - Current	Chemical Papers (1336-9075)	Springer-Verlag
2019/09/17 - Current	Journal of Chemical Information and Modeling (1549-960X)	American Chemical Society
2019/07/16 - Current	Ionics (1862-0760)	Springer-Verlag
2017/02 - Current	Journal of Molecular Modeling (0948-5023)	Springer
2017/01/03 - Current	Journal of Molecular Liquids (0167-7322)	Elsevier
2014/09/08 - Current	The Journal of Physical Chemistry B (1520-5207 )	American Chemical Society
2014/04/17 - Current	The Journal of Physical Chemistry Letters (1948-7185)	ACS Publications
2024/09/01 - 2025/09/30	International Journal of Molecular Sciences (Special Issue Editor) (1422-0067)	MDPI
2023/05/01 - 2024/11/30	Molecules (Special Issue Editor) (1420-3049)	MDPI

Other jury / evaluation

	Activity description	Institution / Organization
2023/01/09 - 2023/06/25	Participation in the User Panel for the "Scientific Posters" short course offered by Nature Masterclass. As part of the panel, I conducted an alpha review for the 'Creating a research poster' course. During this process, I provided feedback on the full draft of the course, including its clarity and effectiveness for learners. The course received an overall positive response with a rating of 4.5 out of 5. My contributions to the alpha review were crucial in refining the course content.	Springer Nature Limited, United Kingdom Nature, United Kingdom

Distinctions

Award

2025	Seal of Excellence for the MSCA project proposal (ID: 101211060) “MrMUSCLE: Modeling to Reality: Can physics-based MULtiSCALE modeling explain soft actuators?”, recognised as a high-quality project proposal in a highly competitive evaluation process Horizon Europe, Belgium EU Framework Programme for Research and Innovation Marie Sklodowska-Curie Actions, Belgium
2013	Certificate of Excellence For the Best Oral Report at RCCT-2013 Conference

Other distinction

2007	Honours Fellowship - Master Degree
2006	Honours Fellowship - 4th year of Bachelor Degree
2005	Honours Fellowship - 3rd year of Bachelor Degree
2004	Honours Fellowship - 2nd year of Bachelor Degree
2003	Honours Fellowship - 1st year of Bachelor Degree