Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session Q59: First-Principles Simulations of Excited-State Phenomena: Applications
3:00 PM–6:00 PM,
Wednesday, March 8, 2023
Room: Room 301
Sponsoring
Unit:
DCOMP
Chair: Volodymyr Turkowski, University of Central Florida; Carsten Ullrich, University of Missouri
Abstract: Q59.00004 : Transferability of Screened Range-Separated Hybrid Functionals for Layered Materials*
4:00 PM–4:12 PM
Presenter:
Maria Camarasa Gomez
(Weizmann Institute of Science)
Authors:
Maria Camarasa Gomez
(Weizmann Institute of Science)
Ashwin Ramasubramaniam
(University of Massachusetts Amherst)
Jeffrey B Neaton
(Lawrence Berkeley National Laboratory)
Leeor Kronik
(Weizmann Institute of Science)
[1] Kronik and Neaton Ann. Rev. Phys. Chem. 67, 587 (2016)
[2] Wing et al., PNAS 118, e2104556118 (2021)
[3] Ramasubramaniam et al., Phys. Rev. Materials 3, 084007 (2019)
*We thank the US Air Force, a BSF-NSF grant, and an Azrieli International Postdoctoral fellowship. Computational resources provided by XSEDE/ACCESS at the PSC.
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