| Massively Parallel Monte Carlo | |
|---|---|
 MPMC logo | |
| Original authors | Jon Belof (currently atLawrence Livermore National Laboratory), MPMC development team,University of South Florida |
| Developer | University of South Florida |
| Initial release | 2007; 19 years ago (2007) |
| Written in | C,C++ |
| Operating system | Linux,macOS, allUnix |
| Platform | IA-32,x86-64,NVidiaCUDA |
| Available in | English |
| Type | Monte Carlo simulation |
| License | GPL 3 |
| Website | code |
| Repository | |
Massively Parallel Monte Carlo (MPMC) is aMonte Carlo method package primarily designed to simulate liquids, molecular interfaces, and functionalizednanoscale materials. It was developed originally by Jon Belof and is now maintained by a group of researchers in the Department of Chemistry[1] and SMMARTT Materials Research Center[2] at theUniversity of South Florida.[3] MPMC has been applied to the scientific research challenges ofnanomaterials forclean energy,carbon sequestration, and molecular detection. Developed to run efficiently on the most powerful supercomputing platforms, MPMC can scale to extremely large numbers of CPUs or GPUs (with support provided forNVidia'sCUDA architecture[4]). Since 2012, MPMC has been released as anopen-source software project under theGNU General Public License (GPL) version 3, and therepository is hosted onGitHub.
MPMC was originally written by Jon Belof (then at the University of South Florida) in 2007 for applications toward the development ofnanomaterials 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 theUniversity of South Florida.
MPMC is optimized for the study of nanoscale interfaces. MPMC supports simulation of Coulomb and Lennard-Jones systems, many-body polarization,[6] coupled-dipole van der Waals,[7] quantum rotational statistics,[8] semi-classical quantum effects, advancedimportance sampling methods relevant to fluids, and numerous tools for the development of intermolecular potentials.[9][10][11][12] The code is designed to efficiently run onhigh-performance computing resources, including the network of some of the most powerful supercomputers in the world made available through theNational Science Foundation supported projectExtreme Science and Engineering Discovery Environment (XSEDE).[13][14]
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 ofnitrogen (N2)[11] andcarbon dioxide (CO2).[12]
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