Bulletin of the American Physical Society
2024 APS March Meeting
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session Y58: Computational Design, Understanding and Discovery of Novel Materials VI
8:00 AM–10:48 AM,
Friday, March 8, 2024
Room: 205D
Sponsoring
Unit:
DMP
Chair: Michael Walters
Abstract: Y58.00013 : A deconstructive analysis of charge-transfer and electrostatic field fluctuations to supplement first-principles modeling of disordered metals*
10:24 AM–10:36 AM
Presenter:
Wai-Ga D Ho
(Florida State University)
Authors:
Wai-Ga D Ho
(Florida State University)
Wasim R Mondal
(Middle Tennessee State University)
Hanna Terletska
(Middle Tennessee State University)
Ka-Ming Tam
(Louisiana State University)
Mariia Karabin
(Oak Ridge National Lab)
Markus Eisenbach
(Oak Ridge National Laboratory)
Yang Wang
(Pittsburgh Supercomput Ctr)
Vladimir Dobrosavljevic
(Florida State University)
*The ab initio calculations in this work are based on open-source ab initio software package MuST, a project supported in part by NSF Office of Advanced Cyberinfrastructure and the Division of Materials Research within the NSF Directorate of Mathematical and Physical Sciences under Award Nos. 1931367 (HT), 1931445 (KT), and 1931525 (YW).
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