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

Anikeya Aditya 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. 943-946 2021 IPDPS Workshops https://doi.org/10.1109/IPDPSW52791.2021.00145 conf/ipps/2021w db/conf/ipps/ipdps2021w.html#RajakAFKLLLNNSS21 Shogo Fukushima Rajiv K. Kalia Thomas Linker Kuang Liu Ye Luo Aiichiro Nakano Ken-ichi Nomura Pankaj Rajak Kohei Shimamura Fuyuki Shimojo Priya Vashishta