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OpenAtom: Ab initio molecular dynamics for petascale platforms
OpenAtom: Ab initio molecular dynamics for petascale platforms
2012
Glenn J. Martyna
Eric J. Bohm
Ramprasad Venkataraman
Anshu Arya
Laxmikant V. Kalé
Abhinav Bhatele
Keywords:
OpenAtom
Ab initio
Molecular dynamics
Petascale computing
Computer science
Computational physics
Computational science
ab initio molecular dynamics
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