Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Brock Jackman"'
Autor:
Younes Nejahi, Mohammad Soroush Barhaghi, Jason Mick, Brock Jackman, Kamel Rushaidat, Yuanzhe Li, Loren Schwiebert, Jeffrey Potoff
Publikováno v:
SoftwareX, Vol 9, Iss , Pp 20-27 (2019)
GPU Optimized Monte Carlo (GOMC) is open-source software for simulating molecular systems using the Metropolis Monte Carlo algorithm. It supports simulations in a variety of ensembles, which include canonical, isothermal–isobaric, grand canonical,
Externí odkaz:
https://doaj.org/article/4a046e4bbe4a43049a620b38eaf49482
Autor:
Brock Jackman, Younes Nejahi, Kamel Rushaidat, Jeffrey J. Potoff, Loren Schwiebert, Mohammad Soroush Barhaghi, Yuanzhe Li, Jason R. Mick
Publikováno v:
SoftwareX, Vol 9, Iss, Pp 20-27 (2019)
GPU Optimized Monte Carlo (GOMC) is open-source software for simulating molecular systems using the Metropolis Monte Carlo algorithm. It supports simulations in a variety of ensembles, which include canonical, isothermal–isobaric, grand canonical,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::70cddce421ba51bb47a8e0c4b98fce4e
http://www.sciencedirect.com/science/article/pii/S2352711018301171
http://www.sciencedirect.com/science/article/pii/S2352711018301171
Autor:
Brock Jackman, Loren Schwiebert, Jason R. Mick, Mohammad Soroush Barhaghi, Kamel Rushaidat, Jeffrey J. Potoff
Publikováno v:
The Journal of chemical physics. 143(11)
Transferrable force fields, based on n-6 Mie potentials, are presented for noble gases. By tuning the repulsive exponent, ni, it is possible to simultaneously reproduce experimental saturated liquid densities and vapor pressures with high accuracy, f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dadaf39f618c4e78760c19481dd85db8
https://pubmed.ncbi.nlm.nih.gov/26395716
https://pubmed.ncbi.nlm.nih.gov/26395716
Publikováno v:
HPCC/CSS/ICESS
This paper describes efficient, scalable parallel implementations of the conventional cell list method and a modified cell list method to calculate the total system intermolecular Lennard-Jones force interactions in the Monte Carlo Gibbs ensemble. We
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fa55eb03871ae2f938101c15808aa3dc
https://doi.org/10.1109/hpcc-css-icess.2015.260
https://doi.org/10.1109/hpcc-css-icess.2015.260