Alexandre Pereira | BMIC 2026 | Galoá Proceedings

Fluminense Federal University

Alexandre Pereira

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lmp2gro: A Python tool to facilitate GROMACS simulations on periodic systems
PEREIRA, Alexandre ¹
MARTINS, Jarede S. ¹
ALBUQUERQUE, Marcelo ¹
COSTA, Luciano T. ²
¹ Universidade Federal Fluminense
² Fluminense Federal University
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343094

TL05 - Theoretical and Computational Inorganic Chemistry

Poster Presentation

Co-authors (3)

Publications in other proceedings

SBQT 2023
Molecular Dynamics Simulations of Amine-Starch Clathrate formation
SBQT 2023
Molecular dynamics simulations of organic-aqueous interfaces under influence of organophosphorus extractants
SBQT 2023
MD and DFT Study of the Driving Forces for Extraction of Fe3+, Co2+ and Ni2+ in PEO/SCN Salt Aqueous Two-Phase Systems
SBQT 2023
Molecular Dynamics Simulations and Free Energy Calculations of Selective Magnetic Coating of Mineral Surfaces
ENTMME 2022
MODELAGEM MOLECULAR E TERMODINÂMICA DA INTERAÇÃO ENTRE BIOCIDAS E O MINERAL TALCO