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"Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum ..."
Hikaru Ibayashi et al. (2023)
- 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. ISC 2023: 223-239
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