Optimized Mie potentials for phase equilibria: Application to noble gases and their mixtures with n-alkanes JR Mick, M Soroush Barhaghi, B Jackman, K Rushaidat, L Schwiebert, ... The Journal of chemical physics 143 (11), 2015 | 71 | 2015 |
GOMC: GPU Optimized Monte Carlo for the simulation of phase equilibria and physical properties of complex fluids Y Nejahi, MS Barhaghi, J Mick, B Jackman, K Rushaidat, Y Li, ... SoftwareX 9, 20-27, 2019 | 58 | 2019 |
Optimized Mie potentials for phase equilibria: Application to branched alkanes JR Mick, M Soroush Barhaghi, B Jackman, L Schwiebert, JJ Potoff Journal of Chemical & Engineering Data 62 (6), 1806-1818, 2017 | 37 | 2017 |
Optimised Mie potentials for phase equilibria: application to alkynes M Soroush Barhaghi, JR Mick, JJ Potoff Molecular Physics 115 (9-12), 1378-1388, 2017 | 20 | 2017 |
Prediction of radon-222 phase behavior by Monte Carlo simulation JR Mick, M Soroush Barhaghi, JJ Potoff Journal of Chemical & Engineering Data 61 (4), 1625-1631, 2016 | 20 | 2016 |
Molecular exchange Monte Carlo: A generalized method for identity exchanges in grand canonical Monte Carlo simulations M Soroush Barhaghi, K Torabi, Y Nejahi, L Schwiebert, JJ Potoff The Journal of chemical physics 149 (7), 2018 | 17 | 2018 |
Prediction of phase equilibria and Gibbs free energies of transfer using molecular exchange Monte Carlo in the Gibbs ensemble MS Barhaghi, JJ Potoff Fluid Phase Equilibria 486, 106-118, 2019 | 16 | 2019 |
Update 2.70 to “GOMC: GPU optimized Monte Carlo for the simulation of phase equilibria and physical properties of complex fluids” Y Nejahi, MS Barhaghi, G Schwing, L Schwiebert, J Potoff SoftwareX 13, 100627, 2021 | 13 | 2021 |
Histogram-free reweighting with grand canonical Monte Carlo: Post-simulation optimization of non-bonded potentials for phase equilibria RA Messerly, M Soroush Barhaghi, JJ Potoff, MR Shirts Journal of Chemical & Engineering Data 64 (9), 3701-3717, 2019 | 11 | 2019 |
Effect of fluorination on the partitioning of alcohols M Soroush Barhaghi, C Luyet, JJ Potoff Molecular Physics 117 (23-24), 3827-3839, 2019 | 4 | 2019 |
Force Field Optimization, Advanced Sampling, And Free Energy Methods With Gpu-Optimized Monte Carlo (gomc) Software M Soroush Barhaghi | | 2019 |
Force Field Optimization, Advanced Sampling, and Free Energy Methods with GPU-Optimized Monte Carlo (GOMC) Software MS Barhaghi Wayne State University, 2019 | | 2019 |