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After my physics degree in 2006 (University of Vigo, Spain), I was fascinated in the thermodynamics of critical phenomena, presenting my PhD. in 2010 entitled “Asymmetric critical behaviour in liquid-liquid transitions: Scaling formulation and experiments” which was awarded with a special mention by the University of Vigo. During the PhD., I collaborated with remarkable theoreticians such as the Profs. M. Anisimov, J. Sengers and Michael E. Fisher (University of Maryland, USA) and a research stage with the Prof. W. Schröer (Bremen Universität, Germany). From 2010 to 2011, I began with computer simulations at the University of Vigo tackling the CO2 phase equilibria. In 2012, I moved to University of Porto (Portugal) to continue my research performing All-Atom (AA-MD) and coarse-grained (CG-MD) simulations to study the synthesis of nano porous materials. In this stage, I collaborated with Profs. Peter Monson and Scott Auerbach (University of Massachusetts, USA) in a research stage to implement silica reactions in CG-MD simulations. In last 5 years, I developed a novel AA-MD model for layered double hydroxide materials (LDH) complete immersed in water (never attained before). Conversely to previous computer models, this model resembled the natural exchange between molecules inside the LDH and those that are in the solution, mimicking the real experimental process. In addition, I performed a new computer approach using Monte Carlo (MC) simulations (RASPA code) to provide insight into the adsorption and selectivity of diverse metal organic materials (MOF). The novelty consisted of simulating defects and deformations that can occur during the experimental synthesis of MOFs. Thus, a deformation was created from the ideal unit cell by displacing the organic linkers with the aim to assess their effect on the adsorption/selectivity properties that were obtained in experiments. The results of the MC simulations showed how these induced deformations impact the absorption/selectivity of ethane/ethylene in diverse MOFs. In this stage, I was collaborating with reputed experimentalists such as Prof. Christian Serre (École Normale supérieure Paris). Meanwhile, I was also continued with my previous studies of silica-based modelling porous materials in which I co-supervised a Fundação para a Ciência e Tecnologia (FCT) project called “SILVIA Modeling the synthesis to develop an unprecedented computer model to include silica polymerisation reactions my previous CG-MD silica model.5 In this project, a postdoc and a student were hired and the objectives were attained, presenting a new reactive CG-MD model called “Sticky MARTINI”. I also participated in another FCT project as a collaborator “DataCor - Smart Data to Design Corrosion Inhibitors” (POCI-01-0145-FEDER-030256) aimed to create a computer model database to connect LDH properties with their anticorrosion applications. In 2018, I joined Prof. João Coutinho’s group with the aim to create and lead a computer modelling division devoted to the characterisation of their extraction/purification experimental studies. In this period, I successfully developed a novel CG-MD model for Pluronic aqueous solutions in close contact with experimentalists (the same recipe will be followed in this proposal). This model was able to overcome the limitations shown by previous literature attempts, mainly based in ad hoc models, and focused on narrow purposes. The Pluronic CG-MD model allowed to analyse the impact of adding different compounds such as ionic liquids (ILs) besides shedding light into some unknown questions of cloud point temperature experiments performed in our laboratory. I also developed other novel CG-MD frameworks, involving diverse amphiphilic compounds used in extraction/purification processes, which allowed a deep analysis of different surfactant and micellar solutions for trapping biomolecules, evaluating the effect of pH, temperature, and concentration.
Identification

Personal identification

Full name
German Perez Sanchez

Citation names

  • Sanchez, German
  • G. Perez-Sanchez

Author identifiers

Ciência ID
4B18-8F6B-AED5
ORCID iD
0000-0002-3972-5901
Google Scholar ID
jhoF1CIAAAAJ
Researcher Id
D-5037-2013
Scopus Author Id
34968459700

Email addresses

  • gperez@ua.pt (Professional)

Addresses

  • CICECO, Departamento de Quimica, Universidade de Aveiro. Campus Universitário de Santiago , 3810-193, Aveiro, Aveiro, Portugal (Professional)

Websites

Knowledge fields

  • Exact Sciences - Chemical Sciences - Physical Chemistry

Languages

Language Speaking Reading Writing Listening Peer-review
Spanish; Castilian Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2)
Galician Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2)
English Upper intermediate (B2) Upper intermediate (B2) Upper intermediate (B2) Upper intermediate (B2)
Portuguese Upper intermediate (B2) Upper intermediate (B2) Upper intermediate (B2) Upper intermediate (B2)
Education
Degree Classification
2010/03/26
Concluded
Programa de Doctorado Física Aplicada - Diploma de Estudios Avanzados (Doctor)
Universidade de Vigo, Spain
"Asymmetric Critical Behavior in Liquid-Liquid Transitions: Scaling Formulation and Experiments" (THESIS/DISSERTATION)
Sobresaliente Cum Laude
2007
Concluded
Certificado de Actitud Pedagógica CAP 2006 (nº 71157) (DEA)
Universidade de Vigo, Spain
"nAsymmetric Critical Behavior: Coexistence Curves in Liquid-Liquid Transitions/a" (THESIS/DISSERTATION)
Aprovado
2005
Concluded
Licenciatura em Física (Licence)
Universidade de Vigo, Spain
"Asymmetric Critical Behavior in Liquid-Liquid Transitions: Scaling Formulation and Experiments" (THESIS/DISSERTATION)
17 valores no sistema portugues. 2.82 (escala de 0
Affiliation

Science

Category
Host institution
Employer
2021/10/01 - Current Researcher (Research) Universidade de Aveiro CICECO, Portugal
Universidade de Aveiro CICECO, Portugal
2019/01/01 - 2021/12/31 Contracted Researcher (Research) Universidade de Aveiro CICECO, Portugal
2017/11/01 - 2018/12/31 Contracted Researcher (Research) Universidade de Aveiro CICECO, Portugal
2016/08/01 - 2016/10/31 Postdoc (Research) Universidade de Aveiro CICECO, Portugal
2016/04/01 - 2016/07/31 Researcher (Research) Universidade do Porto Departamento de Química e Bioquímica, Portugal
2015/07/01 - 2016/03/31 Postdoc (Research) Universidade de Aveiro CICECO, Portugal
2013/03/08 - 2015/06/30 Postdoc (Research) Universidade do Porto Departamento de Química e Bioquímica, Portugal
2011/11/21 - 2013/03/07 Postdoc (Research) Universidade do Porto Faculdade de Engenharia, Portugal
2010/04/01 - 2011/08/31 Postdoc (Research) Universidade de Vigo - Campus Lagoas Marcosende, Spain

Teaching in Higher Education

Category
Host institution
Employer
2010/01/10 - 2010/05/20 Invited Assistant Professor (University Teacher) Universidade de Vigo - Campus Ourense, Spain
2010/01/10 - 2010/05/20 Invited Assistant (University Teacher) Universidade de Vigo - Campus Ourense, Spain
2009/01/10 - 2009/05/20 Visiting Professor (University Teacher) Universidade de Vigo - Campus Ourense, Spain
2008/10/01 - 2009/03/01 Invited Assistant (University Teacher) Universidade de Vigo - Campus Ourense, Spain
2008/10/01 - 2009/03/01 Invited Assistant (University Teacher) Universidade de Vigo - Campus Ourense, Spain
2008/11/01 - 2009/01/03 Invited Assistant (University Teacher) Universidade de Vigo - Campus Ourense, Spain
Projects

Grant

Designation Funders
2023/05 - 2024/05 A coarse-grained molecular dynamic simulation framework to unveil the interactions between mixtures of diverse nature Pluronic in aqueous solutions Fundação para a Ciência e a Tecnologia
2018/07 - 2022/07 DataCor .: Dados Inteligentes para Desenhar Inibidores de Corrosão
Provided by PTCRIS: POCI-01-0145-FEDER-030256
Fundação para a Ciência e a Tecnologia
2021/11 - 2022/02 Unveiling the capacity of Poly(oxyethylene) alkyl ethers CiEj surfactants for oil extraction in silica/water environments through coarse-grain molecular dynamic simulations Fundação para a Ciência e a Tecnologia

Contract

Designation Funders
2018/07/16 - 2022/07/15 Dados Inteligentes para Desenhar Inibidores de Corrosão
PTDC/QUI-QFI/30256/2017
Universidade de Aveiro, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2018/06/01 - 2021/11/30 Modelação da síntese de materiais de SÍLica VIA simulações computacionais multiescala
PTDC/QUI-QFI/31002/2017
Universidade de Aveiro, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing

Other

Designation Funders
2023/02/01 - 2026/01/31 RECOVERY AND SEPARATION OF PLATINUM GROUP METALS AND RARE EARTH ELEMENTS FROM SPENT AUTOMOTIVE CATALYTIC CONVERTERS
Integration into Research Grant Fellow
Universidade de Aveiro CICECO, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
Outputs

Publications

Book chapter
  1. Claudio A. Cerdeiriña; Patricia Losada-Pérez; Germán Pérez-Sánchez; Jacobo Troncoso. "CHAPTER 11. Critical Behaviour: Pure Fluids and Mixtures". 326-344. Royal Society of Chemistry, 2014.
    10.1039/9781782627043-00326
Conference poster
  1. Bastos, Henrique; Schaeffer, Nicolas; G. Perez-Sanchez; Coutinho, Joao A.P.. "Understanding biomolecule solubilization mechanisms in colloidal systems using coarse-grained molecular dynamics". Paper presented in Jornadas do CICECO 2021, 2021.
  2. Tiago L. P. Galvão; G. Perez-Sanchez; Kuznetsova, Alena; Neves, Cristina; Tedim, João; Ferreira, M. G.S.; Gomes, J.R.B.. Corresponding author: Tiago L. P. Galvão. "Unraveling the dynamic interplay between the local structure and properties of layered double hydroxides by computer simulation". Paper presented in XIII Physical Chemistry National Meeting, 2018.
  3. Tiago L. P. Galvão; Neves, Cristina; G. Perez-Sanchez; Ofoegbu, S. U.; Gomes, J.R.B.; Tedim, João; Ferreira, M. G.S.. Corresponding author: Tiago L. P. Galvão. "How Molecular Modelling is used to Gain Insights into Corrosion Protection". Paper presented in UA Research Day 2017, 2017.
Journal article
  1. Germán Pérez-Sánchez; Filipa Costa; Gonçalo M.C. Silva; Manuel M. Piñeiro; João A.P. Coutinho. "Coarse-Grain Molecular Dynamics Simulation Framework to Unravel the Interactions of Surfactants on Silica Surfaces for Oil Recovery". Colloids and Surfaces A: Physicochemical and Engineering Aspects (2023): 131583-131583. http://dx.doi.org/10.1016/j.colsurfa.2023.131583.
    10.1016/j.colsurfa.2023.131583
  2. Cecília Naomi Nakamura; Nathalia Vieira Porphirio Veríssismo; Fernanda Oliveira; Clarissa P. Frizzo; Germán Pérez-Sánchez; João A. P. Coutinho; Jorge F. B. Pereira; Valéria C. Santos-Ebinuma. "Extraction of Natural Colorants using Supramolecular Solvents Composed of Triton X-114 and Ionic Liquids". Separation and Purification Technology (2023): 124070-124070. http://dx.doi.org/10.1016/j.seppur.2023.124070.
    10.1016/j.seppur.2023.124070
  3. Divya Patel; Germán Pérez-Sánchez; Miguel Jorge; Debes Ray; Vinod K. Aswal; Ketan Kuperkar; João A.P. Coutinho; Pratap Bahadur; G. Perez-Sanchez. "Rationalizing the Design of Pluronics–Surfactant Mixed Micelles through Molecular Simulations and Experiments". Langmuir 39 7 (2023): 2692-2709. http://dx.doi.org/10.1021/acs.langmuir.2c03176.
    10.1021/acs.langmuir.2c03176
  4. Mariana A. Noronha; Natália A. D'Angelo; Germán Pérez-Sánchez; Patrícia Severino; Mary Ann Foglio; Tamar L. Greaves; Jorge F.B. Pereira; André M. Lopes. "Self-assembling micelles of lipopolysaccharides (LPS) for loading hydrophobic (bio)molecules". Journal of Molecular Liquids 372 (2023): 121154-121154. http://dx.doi.org/10.1016/j.molliq.2022.121154.
    10.1016/j.molliq.2022.121154
  5. Jordana Benfica; Afonso C. Martins; Germán Peréz-Sanchéz; Nicolas Schaeffer; João A. P. Coutinho. "Exploring the impact of sodium salts on hydrotropic solubilization". Physical Chemistry Chemical Physics (2023): https://doi.org/10.1039/D3CP02034G.
    10.1039/D3CP02034G
  6. Marta Bordonhos; Tiago L. P. Galvão; José R. B. Gomes; José D. Gouveia; Miguel Jorge; Mirtha A. O. Lourenço; José M. Pereira; et al. "Multiscale Computational Approaches toward the Understanding of Materials". Advanced Theory and Simulations (2022): https://doi.org/10.1002/adts.202200628.
    10.1002/adts.202200628
  7. G. Perez-Sanchez; Germán Pérez-Sánchez; Nicolas Schaeffer; Tamar L. Greaves; Jorge F. B. Pereira; João A. P. Coutinho. "Tuning the ionic character of sodium dodecyl sulphate via counter-ion binding: An experimental and computational study". Frontiers in Materials 9 (2022): http://dx.doi.org/10.3389/fmats.2022.1011164.
    10.3389/fmats.2022.1011164
  8. Ángel M. Fernández-Fernández; María M. Conde; Germán Pérez-Sánchez; Martín Pérez-Rodríguez; Manuel M. Piñeiro. "Molecular simulation of methane hydrate growth confined into a silica pore". Journal of Molecular Liquids 362 (2022): 119698-119698. http://dx.doi.org/10.1016/j.molliq.2022.119698.
    10.1016/j.molliq.2022.119698
  9. G. Perez-Sanchez; André P. Carvalho; Sergio M. Santos; Germán Pérez-Sánchez; José D. Gouveia; José R. B. Gomes; Miguel Jorge. "Sticky-MARTINI as a reactive coarse-grained model for molecular dynamics simulations of silica polymerization". npj Computational Materials 8 1 (2022): http://dx.doi.org/10.1038/s41524-022-00722-w.
    10.1038/s41524-022-00722-w
  10. Afonso C. Martins; Jordana Benfica; Germán Peréz-Sanchéz; Seishi Shimizu; Tânia E. Sintra; Nicolas Schaeffer; João A. P. Coutinho. "Assessing the hydrotropic effect in the presence of electrolytes: competition between solute salting-out and salt-induced hydrotrope aggregation". Physical Chemistry Chemical Physics (2022): https://doi.org/10.1039/D2CP00749E.
    10.1039/D2CP00749E
  11. Vilela, Sérgio M. F.; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; et al. "Multifunctionality in an Ion-Exchanged Porous Metal–Organic Framework". Journal of the American Chemical Society 143 3 (2021): 1365-1376. http://dx.doi.org/10.1021/jacs.0c10421.
    Published • 10.1021/jacs.0c10421
  12. Germán Pérez-Sánchez; Nicolas Schaeffer; André M. Lopes; Jorge F. B. Pereira; João A. P. Coutinho; Perez-Sanchez, German; Schaeffer, Nicolas; et al. "Using coarse-grained molecular dynamics to understand the effect of ionic liquids on the aggregation of Pluronic copolymer solutions". Physical Chemistry Chemical Physics 23 10 (2021): 5824-5833. https://doi.org/10.1039/D0CP06572B.
    Published • 10.1039/D0CP06572B
  13. Emanuel A. Crespo; Lourdes F. Vega; Germán Pérez-Sánchez; João A. P. Coutinho. "Unveiling the phase behavior of CiEj non-ionic surfactants in water through coarse-grained molecular dynamics simulations". Soft Matter (2021): https://doi.org/10.1039/D1SM00362C.
    10.1039/D1SM00362C
  14. Silvia J. R. Vargas; Germán Pérez-Sánchez; Nicolas Schaeffer; João A. P. Coutinho. "Solvent extraction in extended hydrogen bonded fluids – separation of Pt(iv) from Pd(ii) using TOPO-based type V DES". Green Chemistry (2021): https://doi.org/10.1039/D1GC00829C.
    10.1039/D1GC00829C
  15. Gerard Novell-Leruth; Germán Pérez-Sánchez; Tiago L.P. Galvão; Dziyana Boiba; Sergey Poznyak; Jorge Carneiro; João Tedim; José R.B. Gomes. "Unveiling the local structure of 2-mercaptobenzothiazole intercalated in (Zn2Al) layered double hydroxides". Applied Clay Science 198 (2020): 105842-105842. https://doi.org/10.1016%2Fj.clay.2020.105842.
    10.1016/j.clay.2020.105842
  16. José D. Gouveia; Germán Pérez-Sánchez; Sérgio M. Santos; André P. Carvalho; José R.B. Gomes; Miguel Jorge. "Mesoscale model of the synthesis of periodic mesoporous benzene-silica". Journal of Molecular Liquids (2020):
    10.1016/j.molliq.2020.113861
  17. Germán Pérez-Sánchez; Filipa A. Vicente; Nicolas Schaeffer; Inês S. Cardoso; Sónia P. M. Ventura; Miguel Jorge; João A. P. Coutinho. "Unravelling the Interactions between Surface-Active Ionic Liquids and Triblock Copolymers for the Design of Thermal Responsive Systems". The Journal of Physical Chemistry B (2020): https://doi.org/10.1021/acs.jpcb.0c02992.
    10.1021/acs.jpcb.0c02992
  18. Emanuel A. Crespo; Nicolas Schaeffer; João A.P. Coutinho; German Perez-Sanchez. "Improved coarse-grain model to unravel the phase behavior of 1-alkyl-3-methylimidazolium-based ionic liquids through molecular dynamics simulations". Journal of Colloid and Interface Science 574 (2020): 324-336. https://doi.org/10.1016/j.jcis.2020.04.063.
    10.1016/j.jcis.2020.04.063
  19. Germán Pérez-Sánchez; Yoselyn S. Santos; Olga Ferreira; João A.P. Coutinho; José R.B. Gomes; Simão P. Pinho. "The cation effect on the solubility of glycylglycine and N-acetylglycine in aqueous solution: Experimental and molecular dynamics studies". Journal of Molecular Liquids 310 (2020): 113044-113044. https://doi.org/10.1016%2Fj.molliq.2020.113044.
    10.1016/j.molliq.2020.113044
  20. Henrique Bastos; Ricardo Bento; Nicolas Schaeffer; João A. P. Coutinho; Germán Pérez-Sánchez. "Using coarse-grained molecular dynamics to rationalize biomolecule solubilization mechanisms in ionic liquid-based colloidal systems". Physical Chemistry Chemical Physics (2020): https://doi.org/10.1039/D0CP04942E.
    10.1039/D0CP04942E
  21. Nicolas Schaeffer; João H. F. Conceição; Mónia A. R. Martins; Márcia C. Neves; Germán Pérez-Sánchez; José R. B. Gomes; Nicolas Papaiconomou; João A. P. Coutinho. "Non-ionic hydrophobic eutectics – versatile solvents for tailored metal separation and valorisation". Green Chemistry (2020): https://doi.org/10.1039/D0GC00793E.
    10.1039/D0GC00793E
  22. Germán Pérez-Sánchez; Filipa A. Vicente; Nicolas Schaeffer; Inês S. Cardoso; Sónia P. M. Ventura; Miguel Jorge; João A. P. Coutinho. "Rationalizing the Phase Behavior of Triblock Copolymers through Experiments and Molecular Simulations". The Journal of Physical Chemistry C (2019): https://doi.org/10.1021/acs.jpcc.9b04099.
    10.1021/acs.jpcc.9b04099
  23. João Pires; Joana Fernandes; Kevin Dedecker; José R. B. Gomes; Germán Pérez-Sánchez; Farid Nouar; Christian Serre; Moisés L. Pinto. "Enhancement of Ethane Selectivity in Ethane–Ethylene Mixtures by Perfluoro Groups in Zr-Based Metal-Organic Frameworks". ACS Applied Materials & Interfaces 11 30 (2019): 27410-27421. https://doi.org/10.1021%2Facsami.9b07115.
    10.1021/acsami.9b07115
  24. Nicolas Schaeffer; German Pérez-Sánchez; Helena Passos; José R. B. Gomes; Nicolas Papaiconomou; João A. P. Coutinho. "Mechanisms of phase separation in temperature-responsive acidic aqueous biphasic systems". Physical Chemistry Chemical Physics 21 14 (2019): 7462-7473. https://doi.org/10.1039/C8CP07750A.
    10.1039/C8CP07750A
  25. Germán Pérez-Sánchez; Tiago L.P. Galvão; João Tedim; José R.B. Gomes. "A molecular dynamics framework to explore the structure and dynamics of layered double hydroxides". Applied Clay Science (2018):
    10.1016/j.clay.2018.06.037
  26. Miguel Jorge; Andrew W. Milne; Olivia N. Sobek; Alessia Centi; Germán Pérez-Sánchez; José R. B. Gomes. "Modelling the self-assembly of silica-based mesoporous materials". Molecular Simulation (2018):
    10.1080/08927022.2018.1427237
  27. Nicolas Schaeffer; Helena Passos; Matthieu Gras; Vijetha Mogilireddy; João P. Leal; Germán Pérez-Sánchez; José R. B. Gomes; et al. "Mechanism of ionic-liquid-based acidic aqueous biphasic system formation". Physical Chemistry Chemical Physics 20 15 (2018): 9838-9846. https://doi.org/10.1039%2Fc8cp00937f.
    10.1039/c8cp00937f
  28. Chien, S.-C.; Pérez-Sánchez, G.; Gomes, J.R.B.; Cordeiro, M.N.D.S.; Jorge, M.; Auerbach, S.M.; Monson, P.A.. "Molecular Simulations of the Synthesis of Periodic Mesoporous Silica Phases at High Surfactant Concentrations". Journal of Physical Chemistry C 121 8 (2017): 4564-4575. http://www.scopus.com/inward/record.url?eid=2-s2.0-85027286822&partnerID=MN8TOARS.
    10.1021/acs.jpcc.6b09429
  29. Pérez-Sánchez, G.; Chien, S.-C.; Gomes, J.R.B.; Cordeiro, N.D.S.M.; Auerbach, S.M.; Monson, P.A.; Jorge, M.. "Multiscale Model for the Templated Synthesis of Mesoporous Silica: The Essential Role of Silica Oligomers". Chemistry of Materials 28 8 (2016): 2715-2727. http://www.scopus.com/inward/record.url?eid=2-s2.0-84969180406&partnerID=MN8TOARS.
    10.1021/acs.chemmater.6b00348
  30. Batista, M.L.S.; Pérez-Sánchez, G.; Gomes, J.R.B.; Coutinho, J.A.P.; Maginn, E.J.. "Evaluation of the GROMOS 56ACARBO Force Field for the Calculation of Structural, Volumetric, and Dynamic Properties of Aqueous Glucose Systems". Journal of Physical Chemistry B 119 49 (2015): 15310-15319. http://www.scopus.com/inward/record.url?eid=2-s2.0-84949513898&partnerID=MN8TOARS.
    10.1021/acs.jpcb.5b08155
  31. Pérez-Sánchez, G.; Troncoso, J.; Losada-Pérez, P.; Méndez-Castro, P.; Romaní, L.. "Highly precise (liquid + liquid) equilibrium and heat capacity measurements near the critical point for [Bmim][BF4] + 1H, 1H, 2H, 2H perfluoroctanol". Journal of Chemical Thermodynamics 65 (2013): 131-137. http://www.scopus.com/inward/record.url?eid=2-s2.0-84879387458&partnerID=MN8TOARS.
    10.1016/j.jct.2013.05.029
  32. Pérez-Sánchez, G.; González-Salgado, D.; Piñeiro, M.M.; Vega, C.. "Fluid-solid equilibrium of carbon dioxide as obtained from computer simulations of several popular potential models: The role of the quadrupole". Journal of Chemical Physics 138 8 (2013): http://www.scopus.com/inward/record.url?eid=2-s2.0-84874875044&partnerID=MN8TOARS.
    10.1063/1.4792443
  33. Pérez-Sánchez, G.; Gomes, J.R.B.; Jorge, M.. "Modeling self-assembly of silica/surfactant mesostructures in the templated synthesis of nanoporous solids". Langmuir 29 7 (2013): 2387-2396. http://www.scopus.com/inward/record.url?eid=2-s2.0-84874035821&partnerID=MN8TOARS.
    10.1021/la3046274
  34. Méndez-Castro, P.; Troncoso, J.; Pérez-Sánchez, G.; Peleteiro, J.; Romaní, L.. "Thermal properties of ionic systems near the liquid-liquid critical point". Journal of Chemical Physics 135 21 (2011): http://www.scopus.com/inward/record.url?eid=2-s2.0-83455243269&partnerID=MN8TOARS.
    10.1063/1.3663857
  35. Germán Pérez-Sánchez; Patricia Losada-Pérez; Claudio A. Cerdeiriña; Jan Thoen. "Critical behavior of static properties for nitrobenzene-alkane mixtures". The Journal of Chemical Physics (2010):
    10.1063/1.3431547
  36. Patricia Losada-Pérez; Germán Pérez-Sánchez; Jacobo Troncoso; Claudio A. Cerdeiriña. "Heat capacity anomalies along the critical isotherm in fluid-fluid phase transitions". The Journal of Chemical Physics 132 15 (2010): 154509-154509. https://doi.org/10.1063%2F1.3374819.
    10.1063/1.3374819
  37. Losada-Pérez, P.; Pérez-Sánchez, G.; Cerdeiriña, C.A.; Thoen, J.. "Dielectric constant of fluids and fluid mixtures at criticality". Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 81 4 (2010): http://www.scopus.com/inward/record.url?eid=2-s2.0-77949608759&partnerID=MN8TOARS.
    10.1103/PhysRevE.81.041121
  38. ¿rez-Sánchez, G.; Losada-¿rez, P.; Cerdeiria, C.A.; Sengers, J.V.; Anisimov, M.A.. "Asymmetric criticality in weakly compressible liquid mixtures". Journal of Chemical Physics 132 15 (2010): http://www.scopus.com/inward/record.url?eid=2-s2.0-77949639189&partnerID=MN8TOARS.
    10.1063/1.3378626
  39. Losada-¿rez, P.; ¿rez-Sánchez, G.; Cerdeiriña, C.A.; Troncoso, J.; Romaní, L.. "Thermodynamic consistency near the liquid-liquid critical point". Journal of Chemical Physics 130 4 (2009): http://www.scopus.com/inward/record.url?eid=2-s2.0-59349104069&partnerID=MN8TOARS.
    10.1063/1.3054351
  40. Losada-Pérez, P.; Blesic, M.; Pérez-Sánchez, G.; Cerdeiriña, C.A.; Troncoso, J.; Romaní, L.; Szydlowski, J.; Rebelo, L.P.N.. "Solution thermodynamics near the liquid-liquid critical point. I. First-order excess derivatives". Fluid Phase Equilibria 258 1 (2007): 7-15. http://www.scopus.com/inward/record.url?eid=2-s2.0-34547128632&partnerID=MN8TOARS.
    10.1016/j.fluid.2007.05.017
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2023/06/08 ATOMS group had the virtual seminar with Dr. Germán Pérez-Sánchez (University of Aveiro - Portugal). His presentation title was "Key aspects when modelling amphiphiles with MARTINI." https://www.youtube.com/watch?v=qXdBttFoj0g&t=2277s ATOMS - Applied Thermodynamics and Molecular Simulation Seminar Series
Federal University of Rio de Janeiro (UFRJ), Brazil (rio de janeiro, Brazil)
2022/09/07 Unveiling the capacity of ionic and anionic surfactants for oil extraction in silica/water interfaces through coarse-grain molecular dynamic simulations Poster presentation: A novel coarse-grain molecular dynamic simulation framework to unravel the impact of ionic liquids in TX-114 micellar solutions The 27th thermodynamics conference; Thermodynamics 2022
University of Bath (Bath, United Kingdom)
2022/09/07 Unveiling the capacity of ionic and anionic surfactants for oil extraction in silica/water interfaces through coarse-grain molecular dynamic simulations The 27th thermodynamics conference; Thermodynamics 2022
University of Bath (Bath, United Kingdom)
2021/07/05 Unravelling the Phase Behaviour of Imidazoliumbased Ionic Liquid Aqueous Solutions through Coarse-Grain Molecular Dynamics Simulations ESAT 2021
IFP Energies Nouvelles (Paris, France)
2021/03/27 Rationalizing biomolecule solubilization mechanisms in colloidal systems through coarse grained molecular dynamics 14º Encontro Nacional de Química Física
Universidade de Coimbra (Coimbra, Portugal)
2019/06/26 Designing thermal responsive systems; unraveling the interactions between triblock-copolymers and surface-active ionic liquids by computer simulations Thermodynamics 2019
(Huelva, Spain)
2018/09/16 Unraveling the interactions of triblock copolymers and surface-active ionic liquid mixtures: a coarse-grain computer simulation approach TERMO 2018 XVI ENCUENTRO INTER-BIENAL DEL GRUPO ESPECIALIZADO DE TERMODINÁMICA (GET)
(A coruña, Spain)
2018/06/04 Coarse-grain Molecular Dynamics Simulations of Ionic Liquid Acidic Aqueous Biphasic Systems; Unravelling the extraction mechanism of cobalt XIII Encontro nacional de química-física 2018
(Faro, Portugal)
2017/03/06 Unraveling the synthesis mechanism of mesoporous silica through multiscale modelling 5th International Conference on Multifunctional, Hybrid and Nanomaterials
(Lisbon, Portugal)
2016/06/22 The Initial Stages of MCM-41 Synthesis through Molecular Dynamics Simulations XII Encontro Nacional de Química-Fisica
(Evora, Portugal)
2014/11/01 Modeling synthesis of mesoporous silica materials with hybrid MD/MC simulations AICHE 2014
(Atlanta, United States)
2014/09/01 Synthesis of porous materials through molecular simulations; Multiscale modelling in MCM-41 liquid crystal Thermo 2014. XIV Bienal GET VIGO
(Vigo, Spain)

Event participation

Activity description
Type of event
Event name
Institution / Organization
2023/10/12 - 2023/10/12 JORNADAS CICECO 2023 Poster presentation "A coarse-grain molecular dynamic simulation framework to tackle oil extraction from silica-based surfaces"
Conference
JORNADAS CICECO 2023
Universidade de Aveiro CICECO, Portugal
2023/09/22 - 2023/09/22 PATh/ILSurvive Workshop "Widening the Range of Opportunities to Combine Alternative Solvents and Microfluidic Devices"
Workshop
Universidade de Aveiro CICECO, Portugal
2023/05/11 - 2023/05/12 Poster presentation "A novel coarse-grain molecular dynamic simulation framework to unravel the impact of ionic liquids in TX-114 micellar solutions"
Conference
1st Iberian Symposium on Functional Organic Polymers
Universidade de Aveiro, Portugal
2022/10/12 - 2022/10/12 JORNADAS CICECO 2022 Poster presentation: novel coarse-grain molecular dynamic simulation framework to unravel the impact of ionic liquids in TX-114 micellar solutions Jornadas CICECO 2022
Universidade de Aveiro, Portugal
2022/06/02 - 2022/06/02 Workshop PATh/IL2BioPro/mVACCIL Workshop "Leading strategies in biopharmaceuticals manufacturing"
Workshop
PATh/IL2BioPro/mVACCIL Workshop
Universidade de Aveiro CICECO, Portugal
2021/10/06 - 2021/10/07 Attendance to Jornadas CICECO 2021
Conference
ADVANCING SCIENCE SHAPING SOCIETY, Jornadas CICECO 2021
Universidade de Aveiro CICECO, Portugal
2021/09/30 - 2021/09/30 Attendance in a workshop aiming "A path towards biomass valorisation assisted by green chemistry tools"
Workshop
6 th PATh Spring Workshop
Universidade de Aveiro CICECO, Portugal
2021/09/23 - 2021/09/24 The event is organized by S o Paulo State University (UNESP), CICECO, University of Aveiro (UA) in collaboration with LSRE-LCM, Faculty of Engineering, University of Porto (FEUP). The annual NanoPurAsp meetings were originally established to address the main results obtained within the project:Development of sustainable nanomaterials for the purification of antileukemic drugs
Symposium
Universidade de Aveiro CICECO, Portugal
2021/03/29 - 2021/03/31 Attendance and poster presentation
Congress
14 Encontro Nacional de Quimica Fisica
Universidade de Coimbra, Portugal

Jury of academic degree

Topic
Role
Candidate name (Type of degree)
Institution / Organization
2023/11/28 Aplicação de técnicas de aprendizagem automática para analisar a síntese de materiais lamelares nanoestruturados
(Thesis) Main arguer
Gabriel Luís Silva Martins (Master)
Universidade de Aveiro, Portugal
2019/11/05 Self-Assembly of Perfluoroalkylalkane Primitive Surfactants A molecular dynamics simulation study
(Thesis) Main arguer
Simaoo Manuel Fernandes Pereira (Master)
Universidade de Lisboa Instituto Superior Técnico, Portugal

Ad Hoc journal article review

Journal title (ISSN) Publisher
2023/10/07 - 2023/10/15 Physical chemistry chemical physics (1463-9084) Royal Society of Chemistry
2023/06/08 - 2023/06/18 Soft Mater (1744-6848) Royal Society of Chemistry
2023/04/17 - 2023/04/19 Journal of Molecular Graphics and Modelling (1873-4243) ElServier
2023/02/06 - 2023/04/07 Colloid and Polymer Science (1435-1536) Springer Science
2023/03/28 - 2023/03/30 Structural Chemistry (10400400) Springer
2023/01/16 - 2023/02/07 Journal of Colloid And Interface Science (10957103) Elsevier
2022/12/06 - 2022/12/12 Journal of Molecular Modelling (16102940) Springer
2022/10/19 - 2022/10/28 Journal of Colloid and Interface Science JCIS (0021-9797) Elsevier
2022/09/18 - 2022/09/21 PCCP (1463-9076 ) Royal Society of Chemistry

Association member

Society Organization name Role
2006/03/01 - Current Real Sociedad Española de Física Membro

Journal scientific committee

Journal title (ISSN) Publisher
2022/02/11 - 2022/02/17 Macromolecules (0024-9297) ACS
2022/01/06 - 2022/01/16 Molecular Simulation (0892-7022) Taylor & Francis
2021/11/15 - 2021/11/16 Journal of Colloid and Interface Science (00219797) ElServier
2021/11/04 - 2021/11/11 Journal of Colloid and Interface Science (00219797) ElServier
2021/10/15 - 2021/10/18 Journal of Colloid and Interface Science (00219797) ElServier
2021/09/02 - 2021/09/10 Journal of Colloid and Interface Science (00219797) ElServier
2021/05/01 - 2021/05/10 Journal of Colloidal Interface Science (0021-9797) Elservier
2020/01/29 - 2020/01/31 Journal of Colloid and Interface Science (1095-7103) ScienceDirect ®,Elsevier B.V.
2020/01/04 - 2020/01/04 The Journal of Physical Chemistry (1541-5740) American Chemical Society
2019/12/17 - 2020/01/02 Applied Clay Science (0169-1317) Elsevier

Mentoring / Tutoring

Topic Student name
2022/03/01 - Current Molecular dynamics simulations of ionic liquid for extraction of hydrophobic drugs Afonso Marques Fernandes
2022/02/01 - Current Projeto da Licenciatura de Biotecnologia 2021/22 Universidade de Aveiro Filipa Martins Costa
2019/10/24 - 2021/10/24 PhD. as a co-supervisor Emanuel de Almeida Crespo
2018/01/01 - 2019/10/21 Master student Supervision Henrique Xavier Santos Bastos

Other jury / evaluation

Activity description Institution / Organization
2022/09/16 - 2022/09/16 Juri in a bachelor project entitled "Estabelecer exatidão de modelos clássicos para o estudo de fulereno e materiais baseados em fulerenos" developed by José Miguel Miranda Pinto, student of Computational Engineering. Universidade de Aveiro Centro de Investigação e Desenvolvimento em Matemática e Aplicações, Portugal
Distinctions

Award

2010 Premio extraordinario de doctorado 2010
Universidade de Vigo, Spain