Publications using GOMC
Histogram-Free Reweighting with Grand Canonical Monte Carlo: Post-simulation Optimization of Non-bonded Potentials for Phase Equilibrium.R. A. Messerly, M. S. Barhaghi, J. J. Potoff, and Michael R. Shirts, J. chemical & engineering data (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.
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.M. S. Barhaghi, K. Torabi, Y. Nejahi, L. Schwiebert, and J. J. Potoff. J. Chem. Phys. 149, 072318 (2018)
Part of the Special Topic issue on Enhanced Sampling for Molecular Systems.
Optimized Mie Potentials for Phase Equilibria: Application to Alkynes.M. S. 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.
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.
K. Rushaidat, L. Schwiebert, B. Jackman, J. Mick, and J. Potoff. In Proceedings of The 7th IEEE International Workshop on Multicore and Multithreaded Architectures and Algorithms (M2A2 2015), New York, NY, August 2015.
Efficient Parallel Cell List Algorithms for Monte Carlo Simulations.
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