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个人简介
Postdoctoral researcher at the Institut de Ciència Molecular — Universitat de València, Spain. Obtained her PhD in sustainable chemistry (2022) at the Instituto de Tecnología Química — Universitat Politecnica de València, Spain; master degree in physical chemistry (2019) at the Universidade Federal de Santa Catarina (UFSC), Brazil; bachelor degree in chemistry (2016) and chemistry education (2017), also at the UFSC.
Since 2014 has been developing projects with computational chemistry. Currently, she investigates adsorptive and separation processes in nanoporous materials (such as MOFs and zeolites), performing Monte Carlo (MC), Molecular Dynamics (MD) simulations, and Machine Learning models. Prior experience with force field parameterization and MD simulation of organic-inorganic polymers in aqueous medium, and its interaction with organic compounds such as pesticides. Besides, she employed electronic structure methodologies (DFT and ab initio methods) for the study of non-covalent interactions such as hydrogen bonds, anion and cation-pi interactions, further investigated by Energy Decomposition Analysis.
研究兴趣
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CHEMIE INGENIEUR TECHNIK (2023)
Journal of cellular and molecular medicineno. 15 (2023): 2249-2260
AI‐Guided Design and Property Prediction for Zeolites and Nanoporous Materialspp.145-172, (2023)
JOURNAL OF PHYSICAL CHEMISTRY Cno. 41 (2022): 17680-17691
Research Square (Research Square) (2022)
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