| Influence of particle shape on the packing and on the segregation of spherocylinders via Monte Carlo simulations CRA Abreu, FW Tavares, M Castier Powder Technology 134 (1-2), 167-180, 2003 | 238 | 2003 |
| Transport properties of carbon dioxide and methane from molecular dynamics simulations CG Aimoli, EJ Maginn, CRA Abreu The Journal of chemical physics 141 (13), 2014 | 139 | 2014 |
| Force field comparison and thermodynamic property calculation of supercritical CO2 and CH4 using molecular dynamics simulations CG Aimoli, EJ Maginn, CRA Abreu Fluid Phase Equilibria 368, 80-90, 2014 | 118 | 2014 |
| OpenMM 8: molecular dynamics simulation with machine learning potentials P Eastman, R Galvelis, RP Peláez, CRA Abreu, SE Farr, E Gallicchio, ... The Journal of Physical Chemistry B 128 (1), 109-116, 2023 | 85 | 2023 |
| Boundary layer flows with Dufour and Soret effects: I: Forced and natural convection CRA Abreu, MF Alfradique, AS Telles Chemical Engineering Science 61 (13), 4282-4289, 2006 | 81 | 2006 |
| Thermodynamic properties of supercritical mixtures of carbon dioxide and methane: a molecular simulation study CG Aimoli, EJ Maginn, CRA Abreu Journal of Chemical & Engineering Data 59 (10), 3041-3054, 2014 | 54 | 2014 |
| A general framework for non-Boltzmann Monte Carlo sampling CRA Abreu, FA Escobedo The Journal of chemical physics 124 (5), 2006 | 43 | 2006 |
| Liquid–liquid equilibrium of fatty systems: A new approach for adjusting UNIFAC interaction parameters GF Hirata, CRA Abreu, LCBA Bessa, MC Ferreira, EAC Batista, ... Fluid Phase Equilibria 360, 379-391, 2013 | 40 | 2013 |
| On the use of transition matrix methods with extended ensembles FA Escobedo, CRA Abreu The Journal of chemical physics 124 (10), 2006 | 39 | 2006 |
| A new UNIFAC parameterization for the prediction of liquid-liquid equilibrium of biodiesel systems LCBA Bessa, MC Ferreira, CRA Abreu, EAC Batista, AJA Meirelles Fluid Phase Equilibria 425, 98-107, 2016 | 36 | 2016 |
| A Monte Carlo simulation of the packing and segregation of spheres in cylinders CRA Abreu, R Macias-Salinas, FW Tavares, M Castier Brazilian Journal of Chemical Engineering 16 (4), 395-405, 1999 | 33 | 1999 |
| Solvent effects on the decarboxylation of trichloroacetic acid: insights from ab initio molecular dynamics simulations GCQ da Silva, TM Cardozo, GW Amarante, CRA Abreu, BAC Horta Physical Chemistry Chemical Physics 20 (34), 21988-21998, 2018 | 23 | 2018 |
| Monte Carlo simulations of the adsorption of chainlike molecules on two-dimensional heterogeneous surfaces VF Cabral, CRA Abreu, M Castier, FW Tavares Langmuir 19 (4), 1429-1438, 2003 | 22 | 2003 |
| Self-diffusion coefficients of methane/n-hexane mixtures at high pressures: An evaluation of the finite-size effect and a comparison of force fields TJP dos Santos, CRA Abreu, BAC Horta, FW Tavares The Journal of Supercritical Fluids 155, 104639, 2020 | 20 | 2020 |
| A novel configurational-bias Monte Carlo method for lattice polymers: application to molecules with multicyclic architectures CRA Abreu, FA Escobedo Macromolecules 38 (20), 8532-8545, 2005 | 18 | 2005 |
| Liquid-liquid equilibrium of systems containing triolein+(fatty acid/partial acylglycerols/ester)+ ethanol: Experimental data and UNIFAC modeling MC Ferreira, LCBA Bessa, CRA Abreu, AJA Meirelles, EAC Batista Fluid Phase Equilibria 476, 186-192, 2018 | 15 | 2018 |
| A molecular dynamics study of the solvation of carbon dioxide and other compounds in the ionic liquids [emim][B (CN) 4] and [emim][NTf2] AJ Silveira, S Pereda, FW Tavares, CRA Abreu Fluid Phase Equilibria 491, 1-11, 2019 | 13 | 2019 |
| An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions N Naleem, CRA Abreu, K Warmuz, M Tong, S Kirmizialtin, ME Tuckerman The Journal of Chemical Physics 159 (3), 2023 | 12 | 2023 |
| Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid water AJ Silveira, CRA Abreu The Journal of Chemical Physics 147 (12), 2017 | 12 | 2017 |
| Non-equilibrium molecular dynamics used to obtain Soret coefficients of binary hydrocarbon mixtures FA Furtado, AJ Silveira, CRA Abreu, FW Tavares Brazilian Journal of Chemical Engineering 32, 683-698, 2015 | 12 | 2015 |
Frederico Wanderley TavaresVerified email at eq.ufrj.br