Accelerating the screening of amorphous polymer electrolytes by learning to reduce random and systematic errors in molecular dynamics simulations.

Tian Xie 0002 Arthur France-Lanord Yanming Wang Jeffrey Lopez Michael Austin Stolberg Megan Hill Graham Michael Leverick Rafael Gómez-Bombarelli Jeremiah A. Johnson Yang Shao-Horn Jeffrey C. Grossman Accelerating the screening of amorphous polymer electrolytes by learning to reduce random and systematic errors in molecular dynamics simulations. 2021 abs/2101.05339 CoRR https://arxiv.org/abs/2101.05339 db/journals/corr/corr2101.html#abs-2101-05339