Hikaru Ibayashi, Taufeq Mohammed Razakh, Liqiu Yang, Thomas Linker, Marco Olguin, Shinnosuke Hattori, Ye Luo, Rajiv K. Kalia, Aiichiro Nakano, Ken-ichi Nomura, Priya Vashishta. Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization. In Abhinav Bhatele, Jeff R. Hammond, Marc Baboulin, Carola Kruse, editors, High Performance Computing - 38th International Conference, ISC High Performance 2023, Hamburg, Germany, May 21-25, 2023, Proceedings. Volume 13948 of Lecture Notes in Computer Science, pages 223-239, Springer, 2023. [doi]
@inproceedings{IbayashiRYLOHLKNNV23,
title = {Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization},
author = {Hikaru Ibayashi and Taufeq Mohammed Razakh and Liqiu Yang and Thomas Linker and Marco Olguin and Shinnosuke Hattori and Ye Luo and Rajiv K. Kalia and Aiichiro Nakano and Ken-ichi Nomura and Priya Vashishta},
year = {2023},
doi = {10.1007/978-3-031-32041-5_12},
url = {https://doi.org/10.1007/978-3-031-32041-5_12},
researchr = {https://researchr.org/publication/IbayashiRYLOHLKNNV23},
cites = {0},
citedby = {0},
pages = {223-239},
booktitle = {High Performance Computing - 38th International Conference, ISC High Performance 2023, Hamburg, Germany, May 21-25, 2023, Proceedings},
editor = {Abhinav Bhatele and Jeff R. Hammond and Marc Baboulin and Carola Kruse},
volume = {13948},
series = {Lecture Notes in Computer Science},
publisher = {Springer},
isbn = {978-3-031-32041-5},
}