CV Lattes
ResearcherID
Universidade Estadual de Campinas (UNICAMP). Instituto de Química (IQ) (Institutional affiliation from the last research proposal) Birthplace: Brazil
Graduate at Química Bacharelado/Licenciatura/Tecnológica from Universidade Estadual de Londrina (2008). Has experience in Chemistry, focusing on Theorical Chemistry (Source: Lattes Curriculum)
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The state in which one finds the force fields used in molecular dynamics has changed very little over the past 30 years. Trivial force fields such as CHARMM and AMBER are highly parameterized and show problems to describe even the behavior of simple peptides in solvation. The use of QTAIM parameters for the description of molecular systems has grown in recent years. The theory uses clear …
The state in which force fields are used in molecular dynamics has changed very little over the past 30 years. The most energy-transferable way to describe an atom within a system is through Quantum Chemical Topology (QCT). QCT atoms are parameter-free 3D fragments of finite volume, naturally appearing in the electron density. They have sharp boundaries, do not overlap, and leave no gaps.…
| 2 / 2 | Completed scholarships in Brazil |
| 1 / 1 | Completed scholarships abroad |
| 3 / 3 | All Scholarships |
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