Gibbs Ensemble Monte Carlo for Reactive Force Fields to Determine the Vapor–Liquid Equilibrium of CO(2) and H(2)O

por Heijmans, Koen, Tranca, Ionut C., Smeulders, David M. J., Vlugt, Thijs J. H., Gaastra-Nedea, Silvia V.
Publicado 2020

Reactive Grand-Canonical Monte Carlo Simulations for Modeling Hydration of MgCl(2)

por Heijmans, Koen, Tranca, Ionut C., Chang, Ming-Wen, Vlugt, Thijs J. H., Gaastra-Nedea, Silvia V., Smeulders, David M. J.
Publicado 2021