Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session G46: Excited State I: Method development: Many-Body Perturbation Theory
11:30 AM–2:30 PM,
Tuesday, March 15, 2022
Room: McCormick Place W-470A
Sponsoring
Units:
DCOMP DMP
Chair: Feliciano Giustino, University of Texas
Abstract: G46.00012 : Electronic properties of crystalline solids from Wannier-localization–based optimal tuning of a screened range-separated hybrid functional*
2:06 PM–2:18 PM
Presenter:
Guy Ohad
(Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel)
Authors:
Guy Ohad
(Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel)
Dahvyd Wing
(Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel)
Marina R Fillip
(Department of Physics, University of Oxford, Oxford OX1 3PJ, United Kingdom.)
Ayala V Cohen
(Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel)
Jonah B Haber
(Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.)
Stephen E Gant
(Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.)
Francisca Sagredo
(Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.)
Jeffery B Neaton
(Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Kavli Energy Nano)
Leeor Kronik
(Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel)
[1] D. Wing et al., PNAS 118, e2104556118 (2021).
*This work was supported via US-Israel NSF-Binational Science Foundation (BSF) Grant DMR-1708892. Computational resources were provided by the Extreme Science and Engineering Discovery Environment (XSEDE) supercomputer Stampede2 at the Texas Advanced Computing Center (TACC) through the allocation TG-DMR190070.
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