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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.

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