Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session S59: First Principles Modeling of Excited-State Phenomena in Materials: Excited State Methods
8:00 AM–11:00 AM,
Thursday, March 7, 2024
Room: 206AB
Sponsoring
Unit:
DCOMP
Chair: Aurelie Champagne, Lawrence Berkeley National Laboratory; Li Yang, Washington University, St. Louis
Abstract: S59.00008 : Non-empirical prediction of electronic and optical properties of van der Waals materials from a Wannier-localized Optimally Tuned Screened Range-Separated Hybrid functional*
9:48 AM–10:00 AM
Presenter:
Maria Camarasa Gomez
(Weizmann Institute of Science)
Authors:
Maria Camarasa Gomez
(Weizmann Institute of Science)
Stephen E Gant
(University of California, Berkeley)
Guy Ohad
(Weizmann Institute of Science)
Jeffrey B Neaton
(Lawrence Berkeley National Laboratory and UC-Berkeley)
Ashwin Ramasubramaniam
(University of Massachusetts Amherst)
Leeor Kronik
(Weizmann Institute of Science)
[1] Wing et al., PNAS 118, e2104556118 (2021)
[2] Ohad et al., Phys. Rev. Materials 6, 104606 (2022)
[3] Ohad et al., arXiv:2309.02117 (2023)
[4] Ramasubramaniam et al., Phys. Rev. Materials 3, 084007 (2019)
[5] Camarasa-Gómez et al., Phys. Rev. Materials 7, 104001 (2023)
*We thank the Air Force Office of Scientific Research, the BSF-NSF, and the Azrieli Foundation. Computational resources provided by TACC in part through the XSEDE and ACCESS programs.
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