Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session B47: Computational Design and Discovery of Novel Materials I
11:30 AM–2:18 PM,
Monday, March 14, 2022
Room: McCormick Place W-470B
Sponsoring
Units:
DCOMP DMP
Chair: Homero Reyes, University of Texas at El Paso
Abstract: B47.00006 : Predicting magnetic anisotropy energies using site-specific spin-orbit coupling energies and machine learning: Application to iron-cobalt nitrides*
12:54 PM–1:06 PM
Presenter:
Timothy Liao
(University of Texas at Austin)
Authors:
Timothy Liao
(University of Texas at Austin)
Weiyi Xia
(Iowa State University)
Masahiro Sakurai
(Univ of Tokyo-Kashiwanoha)
Kai-Ming Ho
(Iowa State University)
Cai-Zhuang Wang
(Iowa State University)
James R Chelikowsky
(University of Texas at Austin)
*This work was supported by NSF-DMREF: SusChEM under the grant numbers 1729202 and 1729677.
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