Luciano T. Costa

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

Carl Caleman, Paul J. van Maaren, Minyan Hong et al. · Journal of Chemical Theory and Computation · 2011 · 745 citations · Full text

Engineering, Isothermal Compressibility, Amber Force Field +17

Ion transport in polycarbonate based solid polymer electrolytes: experimental and computational investigations

Bing Sun, Jonas Mindemark, Evgeny V. Morozov et al. · Physical Chemistry Chemical Physics · 2016 · 165 citations

Engineering, Chemistry, Computational Investigations +23

Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening

Osmair Vital de Oliveira, Gerd B. Rocha, Andrew S. Paluch et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 145 citations · Full text

Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend

Luciano T. Costa, Bing Sun, Fabian Jeschull et al. · The Journal of Chemical Physics · 2015 · 102 citations

A Quantum Chemistry Study for Ionic Liquids Applied to Gas Capture and Separation

Giane B. Damas, Amina B. A. Dias, Luciano T. Costa · The Journal of Physical Chemistry B · 2014 · 94 citations

Engineering, Gas Capture, Quantum Calculations +18