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 X21: Density Functional Theory and Beyond IV
8:00 AM–11:00 AM,
Friday, March 19, 2021
Sponsoring
Units:
DCOMP DCP DCMP DPOLY
Chair: Rajendra Zope, University of Texas, El Paso
Abstract: X21.00013 : Constrained Machine Learning de-orbitalization of meta-GGA exchange-correlation functionals*
10:24 AM–10:36 AM
Live
Presenter:
Kanun Pokharel
(Tulane Univ)
Authors:
Kanun Pokharel
(Tulane Univ)
James Furness
(Tulane Univ)
Yi Yao
(Duke University)
Volker Blum
(Duke University)
Jianwei Sun
(Tulane Univ)
[1] Jianwei Sun et al. Phys. Rev. Lett. 115,036402 (2015)
[2] Mejia-Rodriguez et al. Phys. Rev. A 96, 052512 (2017)
*DOE #DE-SC0019350
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