Charlles R. A. Abreu

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

Peter Eastman, Raimondas Galvelis, Raúl P. Peláez et al. · The Journal of Physical Chemistry B · 2023 · 350 citations · Full text

Engineering, Machine Learning, Physics +15

Influence of particle shape on the packing and on the segregation of spherocylinders via Monte Carlo simulations

Charlles R. A. Abreu, Frederico W. Tavares, Marcelo Castier · Powder Technology · 2003 · 187 citations

Complex Matter, Engineering, Physics +12

Transport properties of carbon dioxide and methane from molecular dynamics simulations

Cassiano Gomes Aimoli, Edward J. Maginn, Charlles R. A. Abreu · The Journal of Chemical Physics · 2014 · 139 citations

Force field comparison and thermodynamic property calculation of supercritical CO2 and CH4 using molecular dynamics simulations

Cassiano Gomes Aimoli, Edward J. Maginn, Charlles R. A. Abreu · Fluid Phase Equilibria · 2014 · 131 citations

Thermodynamic Modelling, Chemical Thermodynamics, Engineering +11

Boundary layer flows with Dufour and Soret effects: I: Forced and natural convection

Charlles R. A. Abreu, Marcelo F. Alfradique, A. Silva Telles · Chemical Engineering Science · 2006 · 55 citations

Engineering, Soret Effects, Mixed Convection +7