Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session B22: Emerging Trends in MD Simulations and Machine Learning I
11:30 AM–2:30 PM,
Monday, March 15, 2021
Sponsoring
Units:
DCOMP GDS DSOFT DPOLY
Chair: Rajiv Kalia, Univ of Southern California
Abstract: B22.00003 : Thermodynamic properties by on-the-fly machine-learned interatomic potentials: thermal transport and phase transitions of zirconia
12:18 PM–12:30 PM
Live
Presenter:
Carla Verdi
(University of Vienna)
Authors:
Carla Verdi
(University of Vienna)
Ferenc Karsai
(VASP Software GmbH)
Ryosuke Jinnouchi
(Toyota Central R&D Labs., Inc.)
Georg Kresse
(University of Vienna)
[1] R. Jinnouchi, F. Karsai, and G. Kresse, Phys. Rev. B 100, 014105 (2019).
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