| Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies IN Tsimpanogiannis, OA Moultos, LFM Franco, MBM Spera, M Erdős, ... Molecular Simulation 45 (4-5), 425-453, 2019 | 163 | 2019 |
| The adsorption mechanisms of organic micropollutants on high-silica zeolites causing S-shaped adsorption isotherms: An experimental and Monte Carlo simulation study N Jiang, M Erdős, OA Moultos, R Shang, TJH Vlugt, SGJ Heijman, ... Chemical Engineering Journal 389, 123968, 2020 | 72 | 2020 |
| Brick-CFCMC: Open source software for Monte Carlo simulations of phase and reaction equilibria using the continuous fractional component method R Hens, A Rahbari, S Caro-Ortiz, N Dawass, M Erdős, ... Journal of Chemical Information and Modeling 60 (6), 2678-2682, 2020 | 40 | 2020 |
| Diffusivity of α-, β-, γ-cyclodextrin and the inclusion complex of β-cyclodextrin: Ibuprofen in aqueous solutions; A molecular dynamics simulation study M Erdős, M Frangou, TJH Vlugt, OA Moultos Fluid Phase Equilibria 528, 112842, 2021 | 37 | 2021 |
| In silico screening of metal–organic frameworks for adsorption-driven heat pumps and chillers M Erdős, MF De Lange, F Kapteijn, OA Moultos, TJH Vlugt ACS applied materials & interfaces 10 (32), 27074-27087, 2018 | 36 | 2018 |
| Two-phase equilibrium conditions in nanopores MT Rauter, O Galteland, M Erdős, OA Moultos, TJH Vlugt, SK Schnell, ... Nanomaterials 10 (4), 608, 2020 | 25 | 2020 |
| Inclusion complexation of organic micropollutants with β-cyclodextrin M Erdős, R Hartkamp, TJH Vlugt, OA Moultos The Journal of Physical Chemistry B 124 (7), 1218-1228, 2020 | 24 | 2020 |
| Gibbs ensemble Monte Carlo simulation of fluids in confinement: Relation between the differential and integral pressures M Erdős, O Galteland, D Bedeaux, S Kjelstrup, OA Moultos, TJH Vlugt Nanomaterials 10 (2), 293, 2020 | 21 | 2020 |
| In silico screening of zeolites for high-pressure hydrogen drying M Erdős, DF Geerdink, A Martin-Calvo, EA Pidko, LJP Van Den Broeke, ... ACS applied materials & interfaces 13 (7), 8383-8394, 2021 | 7 | 2021 |
| Supporting Information for: Inclusion complexation of organic micropollutants with β-Cyclodextrin M Erdos, R Hartkamp, TJH Vlugt, OA Moultos | | |
| Supporting Information: In silico screening of zeolites for high-pressure hydrogen drying M Erdos, DF Geerdink, A Martin-Calvo, EA Pidko, LJP van den Broeke, ... | | |
| Supporting Information for: In silico screening of Metal-Organic Frameworks for adsorption driven heat pumps and chillers M Erdos, MF de Lange, F Kapteijn, OA Moultos, TJH Vlugt | | |
