Molecular Simulation of Vapor–Liquid Equilibria Using the Wolf Method for Electrostatic Interactions

por Hens, Remco, Vlugt, Thijs J. H.
Publicado 2017

Multiple Free Energy Calculations from Single State Point Continuous Fractional Component Monte Carlo Simulation Using Umbrella Sampling

por Rahbari, Ahmadreza, Hens, Remco, Moultos, Othonas A., Dubbeldam, David, Vlugt, Thijs J. H.
Publicado 2020

Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble

por Poursaeidesfahani, Ali, Hens, Remco, Rahbari, Ahmadreza, Ramdin, Mahinder, Dubbeldam, David, Vlugt, Thijs J. H.
Publicado 2017

Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method

por Hens, Remco, Rahbari, Ahmadreza, Caro-Ortiz, Sebastián, Dawass, Noura, Erdős, Máté, Poursaeidesfahani, Ali, Salehi, Hirad S., Celebi, Alper T., Ramdin, Mahinder, Moultos, Othonas A., Dubbeldam, David, Vlugt, Thijs J. H.
Publicado 2020

New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves

por Polat, H. Mert, Salehi, Hirad S., Hens, Remco, Wasik, Dominika O., Rahbari, Ahmadreza, de Meyer, Frédérick, Houriez, Céline, Coquelet, Christophe, Calero, Sofia, Dubbeldam, David, Moultos, Othonas A., Vlugt, Thijs J. H.
Publicado 2021