Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session M60: First-Principles Simulations of Excited-State Phenomena: Out-of-Equilibrium Dynamics
8:00 AM–11:00 AM,
Wednesday, March 8, 2023
Room: Room 419
Sponsoring
Unit:
DCOMP
Chair: Emmanouil Kioupakis, University of Michigan
Abstract: M60.00009 : Using Real-time TDDFT in the Plane-wave Pseudopotential Formulation to Study High Energy Ion Irradiation in solvated DNA*
10:00 AM–10:12 AM
Presenter:
Christopher C Shepard
(University of North Carolina at Chapel H)
Authors:
Christopher C Shepard
(University of North Carolina at Chapel H)
Yosuke Kanai
(University of North Carolina at Chapel H)
Dillon C Yost
(Massachusetts Institute of Technology MIT)
1. C. Shepard, R. Zhou, D. C. Yost, Y. Yao and Y. Kanai, The Journal of Chemical Physics, 2021, 155, 100901.
*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, which is a DOE Office of Science User Facility supported under contract DE-AC02-06CH11357.
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