| Finite-size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics SH Jamali, L Wolff, TM Becker, A Bardow, TJH Vlugt, OA Moultos Journal of Chemical Theory and Computation 14 (5), 2667-2677, 2018 | 165 | 2018 |
| Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we have learned so far AT Celebi, SH Jamali, A Bardow, TJH Vlugt, OA Moultos Molecular Simulation 47 (10-11), 831-845, 2021 | 139 | 2021 |
| OCTP: A Tool for On-the-fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS SH Jamali, L Wolff, TM Becker, M de Groen, M Ramdin, R Hartkamp, ... Journal of chemical information and modeling 59 (4), 1290-1294, 2019 | 99 | 2019 |
| Atomistic Understanding of Zeolite Nanosheets for Water Desalination SH Jamali, TJH Vlugt, LC Lin The Journal of Physical Chemistry C 121 (21), 11273–11280, 2017 | 76 | 2017 |
| Shear Viscosity Computed from the Finite-Size Effects of Self-Diffusivity in Equilibrium Molecular Dynamics SH Jamali, R Hartkamp, C Bardas, J Söhl, TJH Vlugt, OA Moultos Journal of Chemical Theory and Computation 14 (11), 5959-5968, 2018 | 64 | 2018 |
| Generalized form for finite-size corrections in mutual diffusion coefficients of multicomponent mixtures obtained from equilibrium molecular dynamics simulation SH Jamali, A Bardow, TJH Vlugt, OA Moultos Journal of chemical theory and computation 16 (6), 3799-3806, 2020 | 60 | 2020 |
| Absorption Refrigeration Cycles with Ammonia–Ionic Liquid Working Pairs Studied by Molecular Simulation TM Becker, M Wang, A Kabra, SH Jamali, M Ramdin, D Dubbeldam, ... Industrial & Engineering Chemistry Research 57 (15), 5442-5452, 2018 | 47 | 2018 |
| Optimizing Non-bonded Interactions of the OPLS Force Field for Aqueous Solutions of Carbohydrates: How to Capture Both Thermodynamics and Dynamics SH Jamali, T van Westen, OA Moultos, TJH Vlugt Journal of Chemical Theory and Computation 14 (12), 6690-6700, 2018 | 36 | 2018 |
| Solubility of Sulfur Compounds in Commercial Physical Solvents and an Ionic Liquid From Monte Carlo Simulations SH Jamali, M Ramdin, TM Becker, A Torres-Knoop, D Dubbeldam, ... Fluid Phase Equilibria 433, 50-55, 2017 | 36 | 2017 |
| Prediction of Composition-dependent Self-diffusion Coefficients in Binary Liquid Mixtures: The Missing Link for Darken-based Models L Wolff, SH Jamali, TM Becker, OA Moultos, TJH Vlugt, A Bardow Industrial & Engineering Chemistry Research 57 (43), 14784-14794, 2018 | 35 | 2018 |
| On the validity of the Stokes–Einstein relation for various water force fields IN Tsimpanogiannis, SH Jamali, IG Economou, TJH Vlugt, OA Moultos Molecular Physics 118 (9-10), e1702729, 2020 | 31 | 2020 |
| 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, 2018 | 20 | 2018 |
| Thermodynamic and Transport Properties of Crown-Ethers: Force Field Development and Molecular Simulations SH Jamali, M Ramdin, TM Becker, SK Rinwa, W Buijs, TJH Vlugt The Journal of Physical Chemistry B 121 (35), 8367-8376, 2017 | 19 | 2017 |
| Gibbs Ensemble Monte Carlo Simulations of Multicomponent Natural Gas Mixtures M Ramdin, SH Jamali, TM Becker, TJH Vlugt Molecular Simulation 44 (5), 377-383, 2018 | 15 | 2018 |
| Computing Equation of State Parameters of Gases From Monte Carlo Simulations M Ramdin, TM Becker, SH Jamali, M Wang, TJH Vlugt Fluid Phase Equilibria 428, 174-181, 2016 | 14 | 2016 |
| Computational Modeling of Turbulent Ethanol Spray Flames in a Hot Diluted Coflow SH Jamali Delft University of Technology, 2014 | 12 | 2014 |
| CO2 Solubility in Small Carboxylic Acids: Monte Carlo Simulations and PC-SAFT Modeling M Ramdin, SH Jamali, LJP van den Broeke, W Buijs, TJH Vlugt Fluid Phase Equilibria 458, 1-8, 2018 | 10 | 2018 |
| Transport Properties of Fluids: Methodology and Force Field Improvement using Molecular Dynamics Simulations SH Jamali Delft University of Technology, 2020 | 4 | 2020 |
| Rayleigh-Brillouin Light Scattering Spectra of CO2 from Molecular Dynamics SH Jamali, M de Groen, OA Moultos, R Hartkamp, TJH Vlugt, W Ubachs, ... The Journal of Chemical Physics 151 (6), 064201, 2019 | 3 | 2019 |
| Computational Study of Ethanol Flameless Combustion Using FGM and Steady Flamelet SH Jamali, L Ma, D Roekaerts | 3* | |
Thijs VlugtProfessor and Chair Engineering ThermodynamicsVerified email at tudelft.nl
