MPMC
Original author(s) | Jon Belof (currently at Lawrence Livermore National Laboratory), MPMC development team, University of South Florida |
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Developer(s) | University of South Florida |
Initial release | 2007 |
Repository | |
Written in | NVidia CUDA |
Available in | English |
Type | Monte Carlo simulation |
License | GPL 3 |
Website | code |
Massively Parallel Monte Carlo (MPMC) is a
History
MPMC was originally written by Jon Belof (then at the University of South Florida) in 2007 for applications toward the development of nanomaterials for hydrogen storage.[5] Since then MPMC has been released as an open source project and been extended to include a number of simulation methods relevant to statistical physics. The code is now further maintained by a group of researchers (Christian Cioce, Keith McLaughlin, Brant Tudor, Adam Hogan and Brian Space) in the Department of Chemistry and SMMARTT Materials Research Center at the University of South Florida.
Features
MPMC is optimized for the study of nanoscale interfaces. MPMC supports simulation of Coulomb and Lennard-Jones systems, many-body polarization,
Applications
MPMC has been applied to the scientific challenges of discovering nanomaterials for clean energy applications,[15] capturing and sequestering carbon dioxide,[16] designing tailored organometallic materials for chemical weapons detection,[17] and quantum effects in cryogenic hydrogen for spacecraft propulsion.[18] Also simulated and published have been the solid, liquid, supercritical, and gaseous states of matter of nitrogen (N2)[11] and carbon dioxide (CO2).[12]
See also
- Statistical physics
- Monte Carlo method in statistical physics
- Metropolis–Hastings algorithm
- Simulated annealing
- Direct simulation Monte Carlo
- Dynamic Monte Carlo method
- Kinetic Monte Carlo
- List of software for Monte Carlo molecular modeling
- Comparison of software for molecular mechanics modeling
References
- ^ University of South Florida, Department of Chemistry
- ^ University of South Florida, SMMARTT Materials Research Center
- ^ "MPMC". GitHub. 9 April 2015. Retrieved 9 April 2015.
- .
- PMID 17999501.)
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: CS1 maint: multiple names: authors list (link - PMID 24320259.
- PMID 22612090.
- .
- PMID 26631708.
- PMID 22612090.
- ^ PMID 26592288.
- ^ PMID 26592280.
- ^ XSEDE
- ^ https://www.xsede.org/documents/10157/169907/X13_highlights.pdf [bare URL PDF]
- .
- .
- PMID 24093669.
- ^ David L. Block & Ali T-Raissi (February 2009). NASA Report: Hydrogen Research at Florida Universities (PDF) (Report). NASA. NASA/CR2009-215441.