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My scientific career has been focused in the field of quantum and computational chemistry. My first incursion in the field was the development of my BSc Project at the University of Bristol by means of a Erasmus+ Scholarship and the subsequent specialization through the Master in Theoretical Chemistry and Computational Modelling at the University of Vigo (Uvigo) (2015-2017). In 2016, I obtained a research fellowship from Uvigo which allowed me to develop my PhD thesis as part of the work-team in two consolidation research projects funded by Xunta de Galicia (GRC-2019 y GRC-2015). During the development of my thesis I performed two predoctoral stays, a national stay at the University of Oviedo (Uniovi) (1 month) and an International stay at the University of Aveiro (UA) (3 months). Both stays were funded by competitive mobility scholarships from Uvigo. The PhD thesis diplome was awarded on 02/02/2021 reaching “Sobresaliente CUM LAUDE“ qualification, Extraordinary PhD Award and International Mention. While the administrative procedures for the thesis defense took place, I started a Postdoctoral Fellowship at the University of Salamanca (USAL) which lasted 8 months (Nov. 2020-June 2021). Afterwards, during the next three months, I was part of the selective process for a 1Postdoctoral Fellowship from the research center CICECO - Institute of Materials (UA), which I obtained and started in Oct. 2021. I declined this fellowship at the end of Dec. 2021 after being awarded with the Margarita Salas grant. In the frame of this program, I started in Jan. 2022 a contract from Uvigo whose aim was international mobility. The destination center selected was CICECO (UA), which allowed me to continue with the ongoing research. The achievements presented in my CV show my hard-work aptitude and a great interest in research dissemination. By the time this application is performed, I am co-author of twelve scientific articles in international journals, among which include: 1 Nanolett., 2 Chem.-Eur. J., 1 Nanoscale Adv. The results of my research have been disseminated by me and my colleagues in many congresses, mainly European and international, highlighting my presentation of 7 oral communications. It should be mentioned that all my research stays (Pre and Postdoctoral) not only led to relevant articles but also to tight research collaborations that are held until the present day. In addition, these collaborations encouraged me to go out from my main research line leading to two articles without my thesis directors (1 Uniovi y 1 USAL), and to the submission of two other articles: one from the USAL’s stay and the other from the UA’s current stay. My main interest in research is the integration of different computational methods for the solution of a chemistry problem. The main research line within my thesis was the analysis of the electron transport in carbon based systems. In particular, certain analogous concepts from different areas of knowledge were connected, such as the topological insulators behavior (Solid State Physics) and the superexchange mechanisms in the DNA electro transfer processes. I am highly interested in multidisciplinary and in translational science, which can be drawn from my works in collaboration with experimental groups from different areas. During the Postdoctoral stay in USAL, the line project involved the computational study of spin-forbidden enzymatic reactions. Acquiring the technical skills for the treatment of spin properties has been fundamental for the development of the present project in CICECO: the study of the optical and charge transfer properties of spintronic nanomaterials. I would like to point out that, although my research contracts were incompatible with regular teaching, my interest for education led me to supervise three BSc projects and two MSc projects, as well as to teach a specialization course. Finally it is worthy to mention of ANECA’s accreditation for the “Ayudante Doctor” position
Identificação

Identificação pessoal

Nome completo
Sara Gil-Guerrero

Nomes de citação

  • Gil-Guerrero, Sara

Identificadores de autor

Ciência ID
4F1A-F29A-62AA
ORCID iD
0000-0002-1747-4048

Domínios de atuação

  • Ciências Exatas - Química - Química Física

Idiomas

Idioma Conversação Leitura Escrita Compreensão Peer-review
Espanhol; Castelhano (Idioma materno)
Inglês Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1) Utilizador proficiente (C1)
Formação
Grau Classificação
2017/09 - 2021/02
Concluído
Doctorado en Química Teórica y Modelización computacional (Doctor)
Universidade de Vigo, Espanha
2015/07 - 2017/07
Concluído
Máster en Química Teórica y Modelizción Computacional (Master Universitario)
Universidade de Vigo, Espanha
2011/09 - 2015/09
Concluído
Grado en Química (Graduado)
Ediciones Universidad de Salamanca, Espanha
Percurso profissional

Ciência

Categoria Profissional
Instituição de acolhimento
Empregador
2022/01 - Atual Pós-doutorado (Investigação) Universidade de Vigo, Espanha
Universidade de Aveiro CICECO, Portugal
2021/08 - 2021/12 Pós-doutorado (Investigação) Universidade de Aveiro, Portugal
Universidade de Aveiro CICECO, Portugal
2020/10 - 2021/06 Pós-doutorado (Investigação) Universidad de Salamanca, Espanha
2016/06 - 2020/11 Investigador Contratado (Investigação) Universidade de Vigo, Espanha
Projetos

Bolsa

Designação Financiadores
2021/10 - 2021/12 Perform and develop atomistic simulations of carbon-based molecules and nanomaterials
UIDB/50011/2020 & UIDP/50011/2020
Bolseiro de Pós-Doutoramento
Governo da República Portuguesa Ministério da Ciência Tecnologia e Ensino Superior

Projeto

Designação Financiadores
2016/06 - 2021/11 QF3-GRC 2019 and QF3-GRC 2015
ED431C2019/24
Bolseiro de Doutoramento
Xunta de Galicia Consellería de Cultura Educacion e Ordenación Universitaria
2020/11 - 2021/06 Intersystem crossing in systems lacking metal cofactors
2020/8366/01
Bolseiro de Pós-Doutoramento
Ediciones Universidad de Salamanca
Produções

Publicações

Artigo em revista
  1. Ortega, P.; Gil-Guerrero, S.; Veselinova, A.; Zanchet, A.; González-Sánchez, L.; Jambrina, P. G.; Sanz-Sanz, C.. "Multi- and single-reference methods for the analysis of multi-state peroxidation of enolates". The Journal of Chemical Physics 154 14 (2021): 144303. http://dx.doi.org/10.1063/5.0046906.
    10.1063/5.0046906
  2. Gil-Guerrero, Sara. "The effect of spin polarization on the electron transport of molecular wires with diradical character". Physical Chemistry Chemical Physics (2021): https://doi.org/10.1039/d0cp06321e.
    10.1039/d0cp06321e
  3. Gil-Guerrero, Sara. "Clar Goblet and Aromaticity Driven Multiradical Nanographenes". Chemistry – A European Journal (2020): http://dx.doi.org/10.1002/chem.202003713.
    10.1002/chem.202003713
  4. Gil-Guerrero, Sara. "Unimolecular Electrical Rectification Understood Through Electron Deformation Orbitals". The Journal of Physical Chemistry C (2020): http://dx.doi.org/10.1021/acs.jpcc.0c04219.
    10.1021/acs.jpcc.0c04219
  5. Gil-Guerrero, Sara. "Distinct helical molecular orbitals through conformational lock". Chemistry – A European Journal (2020): http://dx.doi.org/10.1002/chem.202002561.
    10.1002/chem.202002561
  6. Gil-Guerrero, Sara. "Detecting Molecular Plasmons by Means of Electron Density Descriptors". The Journal of Physical Chemistry C (2020): http://dx.doi.org/10.1021/acs.jpcc.9b10206.
    10.1021/acs.jpcc.9b10206
  7. Gil-Guerrero, Sara. "Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation". Nano Letters (2019): http://dx.doi.org/10.1021/acs.nanolett.9b03063.
    10.1021/acs.nanolett.9b03063
  8. Gil-Guerrero, Sara. "On the impact of a phosphoryl group in the recognition capabilities of 2-aminopyridines toward carboxylic acids". Theoretical Chemistry Accounts (2019): http://dx.doi.org/10.1007/s00214-019-2496-0.
    10.1007/s00214-019-2496-0
  9. Gil-Guerrero, Sara. "Potential Application of h-BNC Structures in SERS and SEHRS Spectroscopies: A Theoretical Perspective". Sensors (2019): http://dx.doi.org/10.3390/s19081896.
    10.3390/s19081896
  10. Gil-Guerrero, Sara. "Anti-ohmic single molecule electron transport: is it feasible?". Nanoscale Advances (2019): http://dx.doi.org/10.1039/c8na00384j.
    10.1039/c8na00384j
  11. Gil-Guerrero, Sara. "Transmission channels in the time-energy uncertainty relation approach to molecular conductance: Symmetry rules for the electron transport in molecules". International Journal of Quantum Chemistry (2018): http://dx.doi.org/10.1002/qua.25651.
    10.1002/qua.25651
  12. Gil-Guerrero, Sara. "Can aromaticity enhance the electron transport in molecular wires?". Organic Electronics (2018): http://dx.doi.org/10.1016/j.orgel.2018.05.043.
    10.1016/j.orgel.2018.05.043
Atividades

Apresentação oral de trabalho

Título da apresentação Nome do evento
Anfitrião (Local do evento)
2022/02 Understanding Molecular Electrical Rectification 4th Workshop on Characterization and Analysis of Nanomaterials (WCANM2022)
Universidade de Aveiro (Online, Portugal)
2019/06 Anti-Ohmic character in molecular wires: An unfeasible target at ground state? 2nd International Vigo Meeting on Advanced Computational Chemistry
Universidade de Vigo (Vigo, Espanha)
2018/09 Evidencing the topological behavior of polymeric conjugated systems 2nd International Vigo Meeting on Advanced Computational Chemistry
Universidad de Oviedo (Oviedo, Espanha)
2018/07 Rationalization of the Electron Transport in polymeric conjugated chains according to its electronic distribution Seventh Workshop on Theoretical Chemistry and Computational Modelling (7th TCCM Workshop)
The Universidad Autónoma de Madrid, the Universidad de Castilla la Mancha, the APQTC (Asociación para la Promoción de la Qui´mica Teórica y Computacional). (Toledo, Espanha)
2017/12 The effect of the complexation on the proton transference along the 2-Hydroxypyrinide/2-Pyridone system’s tautomerization 2nd International Christmas Caparica Congress in Translational Chemistry (IC3TC)
UCIBIO-LAQv-REQUIMTE, Faculty of Sc. and Tech., Universidade NOVA de Lisboa. (Caparica, Portugal)
2017/06 On the mechanism of the 2-Hydroxypyridine/2-Pyridone photo-tautomerization 1st International Vigo Meeting on Advanced Computational Chemistry
Universidade de Vigo (Vigo, Espanha)

Orientação

Título / Tema
Papel desempenhado
Curso (Tipo)
Instituição / Organização
2020 - 2021 Análisis computacional de MIPs para la detección de cannabis
Coorientador
Universidade de Vigo, Espanha
2020 - 2021 Análisis computacional de los orbitales moleculares helicoidales en sistemas con potencial aplicación quiróptica.
Coorientador
Universidade de Vigo, Espanha
2020 - 2021 Estudio computacional de tiempos de retención para inhibidores de tubulina
Coorientador
Universidad de Salamanca, Espanha
2020 - 2021 Estudio computacional de la adición de O2 molecular a 2-metil-3,4- dihidro-1-naftol prohibido por espi´n
Coorientador
Universidad de Salamanca, Espanha
2019 - 2020 Estudio computacional de la adsorción de bases nitrogenadas sobre superficies dopadas de grafeno.
Coorientador
Universidade de Vigo, Espanha

Curso / Disciplina lecionado

Disciplina Curso (Tipo) Instituição / Organização
2021/06 - Atual BioExcel Summer School on Biomolecular Simulations (Postgraduate Certificate) Bioexcel Publishing Limited, Reino Unido
2018/09 - Atual School on Quantum Chemical Topology of the ESBC2 (Postgraduate Certificate) Universidad de Oviedo, Espanha
2016/04 - Atual Theoretical Solid State Chemistry: Theory, Modelling and Simulations (Postgraduate Certificate) Universidad de Zaragoza, Espanha
2016/04 - Atual Computational Biochemistry Tutorial (Postgraduate Certificate) Universidad de Zaragoza, Espanha

Membro de comissão

Descrição da atividade
Tipo de participação
Instituição / Organização
2022/06 - Atual Organizing Committee of the 12th Congress on Electronic Structure: Principles and Applications
Membro
Universidade de Vigo, Espanha
2019/06 - Atual Organizing Committee of the 2nd International Vigo Meeting on Advanced Computational Chemistry
Membro
Universidade de Vigo, Espanha
Distinções

Prémio

2021 Extraordinary Award of Doctorate
Universidade de Vigo, Espanha