Publications using GOMC

Mohammad Soroush Barhaghi, Korosh Torabi, Younes Nejahi, Loren Schwiebert, and Jeffrey J. Potoff, “Molecular Exchange Monte Carlo.  A generalized method for identity exchanges in grand canonical Monte Carlo simulations,” J. Chem. Phys. 149, 072318 (2018). 

Part of the Special Topic issue on Enhanced Sampling for Molecular Systems

J. Chem. Phys. 149, 072001 (2018); https://doi.org/10.1063/1.5049669

Figure3

Jason R. Mick, Mohammad Soroush Barhaghi, Brock Jackman, Loren Schwiebert, and Jeffrey J. Potoff*, “Optimized Mie Potentials for Phase Equilibria: Application to Branched Alkanes,” J. Chem. Eng. Data. 62, 1806-1818 (2017).

Mohammad Soroush Barhaghi, Jason R. Mick and Jeffrey J. Potoff*, “Optimized Mie Potentials for Phase Equilibria: Application to Alkynes,” Molec. Phys. 115, 1378-1388 (2017) [invited paper] DOI: 10.1080/00268976.2017.1297862.

Y. Li, L. Schwiebert, E. Hailat, J. Mick, and J. J. Potoff, “Improving performance of GPU code using novel features of the NVIDIA kepler architecture,” Concurrency and Computation Practice and Experience, 28, 3586-3605 (2016) DOI: 10.1002/cpe.3744

J. R. Mick, M. Barhaghi, and J. J. Potoff, “Prediction of radon-222 phase behavior from Monte Carlo simulation,” J. Chem. Eng. Data 61, 1625-1631 (2016) dx.doi.org/10.1021/acs.jced.5b01002

J. J. Potoff and G Kamath, “Mie potentials for phase equilibria: application to alkenes,” J. Chem. Eng. Data 59, 3144-3150 (2014) [invited paper]. DOI: 10.1021/je500202q

J. Mick, M. Barhaghi, B. Jackman, K. Rushaidat, L. Schwiebert and J. Potoff, “Optimized Mie potentials for phase equilibria: Application to noble gases and their mixtures with n-alkanes, “The Journal of Chemical Physics, vol. 143, pp. 114504, 2015”

Referred Conference and Workshop Publications

J. Mick, K. Rushaidat, E. Hailat, V. Russo, L. Schwiebert, and J. Potoff, “GPU Accelerated Configurational Bias Monte Carlo Simulations of Linear Alkanes,” AIChE Annual Meeting, paper no. 283711, October 2012

linear-alkanes

J. Mick, J. Potoff, E. Hailat, V. Russo, and L. Schwiebert, “GPU Accelerated Monte Carlo Simulations In the Gibbs and Canonical Ensembles,” AIChE Annual Meeting, October 2011

canonical-ensemble

Posters

Technical Reports

Close Menu