Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session K48: Quantum Many-Body Systems and Methods II
3:00 PM–5:48 PM,
Tuesday, March 15, 2022
Room: McCormick Place W-471A
Sponsoring
Unit:
DCOMP
Chair: Alina Kononov, Sandia National Lab
Abstract: K48.00005 : Electronic temperature effects on the dissociation of diatomic molecules using density matrix quantum Monte Carlo*
3:48 PM–4:00 PM
Presenter:
Hayley R Petras
(University of Iowa)
Authors:
Hayley R Petras
(University of Iowa)
William Z Van Benschoten
(University of Iowa)
Emily J Landgreen
(University of Iowa)
Sai Kumar Ramadugu
(University of Iowa)
James J Shepherd
(University of Iowa)
*The work here was primarily supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences Early Career Research Program (ECRP) under Award Number DE-SC0021317. The authors also acknowledge start-up funding through the University of Iowa. The computer time used to collect the data came, in part, from the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory operated under Contract No. DE-AC02-05CH11231. This was made available through an Energy Research Computing Allocations Process application with one of the authors as the principal investigator (J.J.S.).
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