1 code implementation • 14 Mar 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
Specifically, Allegro-Legato exhibits much weaker dependence of timei-to-failure on the problem size, $t_{\textrm{failure}} \propto N^{-0. 14}$ ($N$ is the number of atoms) compared to the SOTA Allegro model $\left(t_{\textrm{failure}} \propto N^{-0. 29}\right)$, i. e., systematically delayed time-to-failure, thus allowing much larger and longer NNQMD simulations without failure.
