Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session F36: Molecular Dynamics Ex Machina: Successes and Challenges
8:00 AM–11:00 AM,
Tuesday, March 3, 2020
Room: 601/603
Sponsoring
Unit:
DCOMP
Chair: Boris Kozinsky, Harvard University
Abstract: F36.00004 : Automated training of machine learned potentials with Bayesian active learning*
Presenter:
Jonathan Vandermause
(Harvard University)
Authors:
Jonathan Vandermause
(Harvard University)
Yu Xie
(Harvard University)
Lixin Sun
(Harvard University)
Jin Soo S Lim
(Harvard University)
Steven B Torrisi
(Harvard University)
Simon Batzner
(Harvard University)
Alexie Kolpak
(Massachusetts Institute of Technology)
Boris Kozinsky
(Harvard University)
*B.K. and J.V. acknowledge funding support from Bosch Research. A.M.K. and S.B. acknowledge funding from the MIT-Skoltech Center for Electrochemical Energy Storage. S.B.T. is supported by the Department of Energy Computational Science Graduate Fellowship under grant DEFG02-97ER25308.
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