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: Q59.00005 : Accurate band gaps and optical spectra of halides and oxides from a non-empirical, localization based optimal tuning of a screened range-separated hybrid functional*
4:12 PM–4:24 PM
Presenter:
Guy Ohad
(Weizmann Institute of Science)
Authors:
Guy Ohad
(Weizmann Institute of Science)
Stephen E Gant
(University of California, Berkeley)
Dahvyd Wing
(Weizmann Institute of Science)
Jonah B Haber
(University of California, Berkeley)
Maria Camarasa Gomez
(Weizmann Institute of Science)
Ayala V Cohen
(Weizmann Institute of Science)
Francisca Sagredo
(University of California, Berkeley)
Ashwin Ramasubramaniam
(University of Massachusetts Amherst)
Marina R Filip
(University of Oxford)
Jeffery B Neaton
(University of California, Berkeley)
Leeor Kronik
(Weizmann Institute of Science)
[1] D. Wing et al., PNAS 118, e2104556118 (2021).
*This work was supported via US-Israel NSF-Binational Science Foundation (BSF) Grant DMR-1708892 and by the Israel Science Foundation. Computational resources were provided by the Extreme Science and Engineering Discovery Environment (XSEDE) - Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS) supercomputer Stampede2 at the Texas Advanced Computing Center (TACC) through the allocation TG-DMR190070.
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