| Solubility of water in hydrogen at high pressures: a molecular simulation study A Rahbari, J Brenkman, R Hens, M Ramdin, LJP Van Den Broeke, ... Journal of Chemical & Engineering Data 64 (9), 4103-4115, 2019 | 52 | 2019 |
| Combined Steam Reforming of Methane and Formic Acid To Produce Syngas with an Adjustable H2:CO Ratio A Rahbari, M Ramdin, LJP Van Den Broeke, TJH Vlugt Industrial & engineering chemistry research 57 (31), 10663-10674, 2018 | 52 | 2018 |
| Recent advances in the continuous fractional component Monte Carlo methodology A Rahbari, R Hens, M Ramdin, OA Moultos, D Dubbeldam, TJH Vlugt Molecular Simulation 47 (10-11), 804-823, 2021 | 45 | 2021 |
| Efficient application of Continuous Fractional Component Monte Carlo in the reaction ensemble A Poursaeidesfahani, R Hens, A Rahbari, M Ramdin, D Dubbeldam, ... Journal of chemical theory and computation 13 (9), 4452-4466, 2017 | 45 | 2017 |
| 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 | 39 | 2020 |
| Computation of partial molar properties using continuous fractional component Monte Carlo A Rahbari, R Hens, IK Nikolaidis, A Poursaeidesfahani, M Ramdin, ... Molecular Physics 116 (21-22), 3331-3344, 2018 | 32 | 2018 |
| Computation of thermodynamic properties in the continuous fractional component Monte Carlo Gibbs ensemble A Poursaeidesfahani, A Rahbari, A Torres-Knoop, D Dubbeldam, ... Molecular Simulation 43 (3), 189-195, 2017 | 30 | 2017 |
| Chemical potentials of water, methanol, carbon dioxide and hydrogen sulphide at low temperatures using continuous fractional component Gibbs ensemble Monte Carlo A Rahbari, A Poursaeidesfahani, A Torres-Knoop, D Dubbeldam, ... Molecular Simulation 44 (5), 405-414, 2018 | 23 | 2018 |
| A New Force Field for OH– for Computing Thermodynamic and Transport Properties of H2 and O2 in Aqueous NaOH and KOH Solutions P Habibi, A Rahbari, S Blazquez, C Vega, P Dey, TJH Vlugt, OA Moultos The Journal of Physical Chemistry B 126 (45), 9376-9387, 2022 | 20 | 2022 |
| Adsorption equilibrium of nitrogen dioxide in porous materials I Matito-Martos, A Rahbari, A Martin-Calvo, D Dubbeldam, TJH Vlugt, ... Physical Chemistry Chemical Physics 20 (6), 4189-4199, 2018 | 20 | 2018 |
| Effect of truncating electrostatic interactions on predicting thermodynamic properties of water–methanol systems A Rahbari, R Hens, SH Jamali, M Ramdin, D Dubbeldam, TJH Vlugt Molecular Simulation 45 (4-5), 336-350, 2019 | 18 | 2019 |
| New features of the open source Monte Carlo software brick-CFCMC: Thermodynamic integration and hybrid trial moves HM Polat, HS Salehi, R Hens, DO Wasik, A Rahbari, F De Meyer, ... Journal of Chemical Information and Modeling 61 (8), 3752-3757, 2021 | 17 | 2021 |
| Improving the accuracy of computing chemical potentials in CFCMC simulations A Rahbari, R Hens, D Dubbeldam, TJH Vlugt Molecular Physics 117 (23-24), 3493-3508, 2019 | 16 | 2019 |
| Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation A Rahbari, TR Josephson, Y Sun, OA Moultos, D Dubbeldam, ... Fluid Phase Equilibria 523, 112785, 2020 | 14 | 2020 |
| Effect of water content on thermodynamic properties of compressed hydrogen A Rahbari, JC Garcia-Navarro, M Ramdin, LJP Van Den Broeke, ... Journal of Chemical & Engineering Data 66 (5), 2071-2087, 2021 | 10 | 2021 |
| Multiple free energy calculations from single state point continuous fractional component Monte Carlo simulation using umbrella sampling A Rahbari, R Hens, OA Moultos, D Dubbeldam, TJH Vlugt Journal of chemical theory and computation 16 (3), 1757-1767, 2020 | 9 | 2020 |
| Electro-osmotic drag and thermodynamic properties of water in hydrated nafion membranes from molecular dynamics A Rahbari, R Hartkamp, OA Moultos, A Bos, LJP Van Den Broeke, ... The Journal of Physical Chemistry C 126 (18), 8121-8133, 2022 | 8 | 2022 |
| Thermodynamics of Industrially Relevant Systems: Method Development and Applications A Rahbari Delft University of Technology, 2020 | 2 | 2020 |
| Transient modelling of a multi-cell alkaline electrolyzer for gas crossover and safe system operation S Oikonomidis, M Ramdin, OA Moultos, A Bos, TJH Vlugt, A Rahbari international journal of hydrogen energy 48 (88), 34210-34228, 2023 | | 2023 |
| Supporting Information for: Multiple free energy calculations from single state point Continuous Fractional Component Monte Carlo simulation using umbrella sampling A Rahbari, R Hens, OA Moultos, D Dubbeldam, TJH Vlugt | | |
Thijs VlugtProfessor and Chair Engineering ThermodynamicsVerified email at tudelft.nl
