Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session M48: Building the Bridge to Exascale: Applications and Opportunities for Materials, Chemistry, and Biology II
8:00 AM–10:36 AM,
Wednesday, March 16, 2022
Room: McCormick Place W-471A
Sponsoring
Units:
DCOMP DCMP DCP DMP
Chair: Jack Wells, NVIDIA
Abstract: M48.00004 : Massively-Parallel Real-time TDDFT using Plane-wave Pseudopotential Formulation: Application to Studying Electronic Excitation in Solvated DNA.*
9:24 AM–9:36 AM
Presenter:
Chris C Shepard
(University of North Carolina at Chapel Hill)
Authors:
Chris C Shepard
(University of North Carolina at Chapel Hill)
Ruiyi Zhou
(UNC Chapel Hill)
Dillon C Yost
(Massachusetts Institute of Technology MIT)
Yi Yao
(Duke University)
Yosuke Kanai
(University of North Carolina at Chapel Hill)
*An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research used resources of the Argonne Leadership Computing Facility (ALCF), which is a DOE Office of Science User Facility supported under Contract No. DE-AC02-06CH11357.
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