Publications using GOMC
Open-Source Molecular Modeling Software in Chemical Engineering Focusing on the Molecular Simulation Design Framework
TRIBUTE TO FOUNDERS: KEITH GUBBINS ISSUE. THERMODYNAMICS AND MOLECULAR‐SCALE PHENOMENA
Update 2.70 to “GOMC: GPU Optimized Monte Carlo for the simulation of phase equilibria and physical properties of complex fluids”
Y. Nejahi, M. Soroush Barhaghi, G. Schwing, L. Schwiebert, J. Potoff. SoftwareX, 13, 100627 (2021).
Effect of fluorination on the partitioning of alcohols.
M. Soroush Barhaghi, C. Luyet, and J. J. Potoff, J. Molecular Physics,117, 3827-3839 (2019).
This article is part of the Peter Cummings special issue.
Histogram-Free Reweighting with Grand Canonical Monte Carlo: Post-simulation Optimization of Non-bonded Potentials for Phase Equilibrium.
R. A. Messerly, M. Soroush Barhaghi, J. J. Potoff, and Michael R. Shirts, J. chemical & engineering data, 64, 3701-3717 (2019).
This article is part of the FOMMS special issue.
Prediction of phase equilibria and Gibbs free energies of transfer using molecular exchange Monte Carlo in the Gibbs ensemble.
M. Soroush Barhaghi and J. J. Potoff. Fluid Phase Equilibria, 486, 106-118 (2019).
GOMC: GPU Optimized Monte Carlo for the simulation of phase equilibria and physical properties of complex fluids.
Molecular Exchange Monte Carlo. A generalized method for identity exchanges in grand canonical Monte Carlo simulations.
Part of the Special Topic issue on Enhanced Sampling for Molecular Systems.
Optimized Mie Potentials for Phase Equilibria: Application to Branched Alkanes.
Optimized Mie Potentials for Phase Equilibria: Application to Alkynes.
M. Soroush Barhaghi, J. R. Mick and J. J. Potoff. Molec. Phys. 115, 1378-1388 (2017).
Special Issue of Molecular Physics in Honor of Professor Johann Fischer.
Improving performance of GPU code using novel features of the NVIDIA kepler architecture.
Prediction of radon-222 phase behavior from Monte Carlo simulation.
J. R. Mick, M. Soroush Barhaghi, and J. J. Potoff. J. Chem. Eng. Data 61, 1625-1631 (2016).
Mie potentials for phase equilibria: application to alkenes.
J. J. Potoff and G Kamath. J. Chem. Eng. Data 59, 3144-3150 (2014).
Modeling and Simulation of Real Systems special issue.
Optimized Mie potentials for phase equilibria: Application to noble gases and their mixtures with n-alkanes.
Parallel Monte Carlo Simulation for Canonical Ensemble on the graphics processing unit.
GPU-accelerated Gibbs ensemble Monte Carlo simulations of Lennard-Jonesium.
Referred Conference and Workshop Publications
Evaluation of Hybrid Parallel Cell List Algorithms For Monte Carlo Simulation.
Efficient Parallel Cell List Algorithms for Monte Carlo Simulations.
GPU-based Monte Carlo simulation for the Gibbs Ensemble.
GPU Accelerated Configurational Bias Monte Carlo Simulations of Linear Alkanes.
J. Mick, K. Rushaidat, E. Hailat, V. Russo, L. Schwiebert, and J. Potoff. AIChE Annual Meeting, paper no. 283711, October 2012.
Optimization of a Lennard-Jones Particle Monte Carlo GPU Code.
GPU Accelerated Monte Carlo Simulations In the Gibbs and Canonical Ensembles.
J. Mick, J. Potoff, E. Hailat, V. Russo, and L. Schwiebert. AIChE Annual Meeting, October 2011.
Posters
Mohammad S. Barhaghi, Jason Mick, Kamel Rushaidat, Runxuan Jiang, Brock Jackman, Yuanzhe Li, Younes Nejahi, Loren Schwiebert, and Jeffrey Potoff, “Development of The Parallel Monte Carlo Simulation Engine GOMC”. AIChE Annual Meeting October 2017.
Mohammad S. Barhaghi, Jason Mick, Kamel Rushaidat, Brock Jackman, Yuanzhe Li, Younes Nejahi, Loren Schwiebert, and Jeffrey Potoff, “Development of a GPU Accelerated Gibbs Ensemble Monte Carlo Simulation Engine”. AIChE Annual Meeting October 2015.
E. Hailat, J. Mick, K. Rushaidat, L. Schwiebert, and J. Potoff, “A Massively Parallel Implementation for the Grand Canonical Monte Carlo Simulation,” Wayne State University Graduate Exhibition, March 2013
J. Mick, K. Rushaidat, E. Hailat, Y. Li, V. Russo, L. Schwiebert, and J. Potoff, “GPU Monte Carlo Developments: Biased Gibbs Ensemble Alkane Simulations and Architectural Optimizations,” AIChE Annual Meeting, October 2012
E. Hailat, V. Russo, J. Mick, K. Rushaidat, L. Schwiebert, and J. Potoff, “GPU-Based Monte Carlo Simulations for Canonical and Gibbs Ensembles,” 2012 GPU Technology Conference (GTC), May 2012
J. Mick, E. Hailat, V. Russo, K. Rushaidat,L. Schwiebert, and J. Potoff, “Accelerating Simulations in the Gibbs and Canonical Ensembles with GPUs,” AIChE Annual Meeting, October 2011
Technical Reports
L. Schwiebert, E. Hailat, K. Rushaidat, J. Mick, and J. Potoff, “An Efficient Cell List Implementation for Monte Carlo Simulation on GPUs,” arXiv.org, August 2014.