Inclusion Complexation of Organic Micropollutants with β-Cyclodextrin

por Erdős, Máté, Hartkamp, Remco, Vlugt, Thijs J. H., Moultos, Othonas A.
Publicado 2020

Diffusivity of α-, β-, γ-cyclodextrin and the inclusion complex of β-cyclodextrin: Ibuprofen in aqueous solutions; A molecular dynamics simulation study

por Erdős, Máté, Frangou, Michalis, Vlugt, Thijs J.H., Moultos, Othonas A.
Publicado 2021

In Silico Screening of Metal–Organic Frameworks for Adsorption-Driven Heat Pumps and Chillers

por Erdős, Máté, de Lange, Martijn F., Kapteijn, Freek, Moultos, Othonas A., Vlugt, Thijs J. H.
Publicado 2018

Gibbs Ensemble Monte Carlo Simulation of Fluids in Confinement: Relation between the Differential and Integral Pressures

por Erdős, Máté, Galteland, Olav, Bedeaux, Dick, Kjelstrup, Signe, Moultos, Othonas A., Vlugt, Thijs J. H.
Publicado 2020

Two-Phase Equilibrium Conditions in Nanopores

por Rauter, Michael T., Galteland, Olav, Erdős, Máté, Moultos, Othonas A., Vlugt, Thijs J. H., Schnell, Sondre K., Bedeaux, Dick, Kjelstrup, Signe
Publicado 2020

In Silico Screening of Zeolites for High-Pressure Hydrogen Drying

por Erdős, Máté, Geerdink, Daan F., Martin-Calvo, Ana, Pidko, Evgeny A., van den Broeke, Leo J. P., Calero, Sofia, Vlugt, Thijs J. H., Moultos, Othonas A.
Publicado 2021

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