OpenAtom: Ab initio Molecular Dynamics for Petascale Platforms

Glenn J. Martyna, Eric J. Bohm, Ramprasad Venkataraman, Laxmikant V. Kalé, Abhinav Bhatele. OpenAtom: Ab initio Molecular Dynamics for Petascale Platforms. In Laxmikant V. Kalé, Abhinav Bhatele, editors, Parallel Science and Engineering Applications - The Charm++ Approach. Series in Computational Physics, pages 79-104, CRC Press, 2013.

Authors

Glenn J. Martyna

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Eric J. Bohm

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Ramprasad Venkataraman

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Laxmikant V. Kalé

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Abhinav Bhatele

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