"Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics."

Pankaj Rajak et al. (2021)

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DOI: 10.1109/IPDPSW52791.2021.00145

access: closed

type: Conference or Workshop Paper

metadata version: 2022-10-02

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Pankaj Rajak, Anikeya Aditya, Shogo Fukushima, Rajiv K. Kalia, Thomas Linker, Kuang Liu, Ye Luo, Aiichiro Nakano, Ken-ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta:
Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics. IPDPS Workshops 2021: 943-946

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