Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session N49: Emerging Trends in Molecular Dynamics Simulations and Machine Learning III
11:30 AM–2:18 PM,
Wednesday, March 16, 2022
Room: McCormick Place W-471B
Sponsoring
Units:
DCOMP GDS DSOFT DPOLY
Chair: Aravind Krishnamoorthy, University of Southern California
Abstract: N49.00003 : Obtaining vibronic excitation spectra of small organic molecules using machine learning simulations and power spectra techniques*
12:18 PM–12:30 PM
Presenter:
Andrew M Johannesen
(University of Minnesota)
Authors:
Andrew M Johannesen
(University of Minnesota)
Jason D Goodpaster
(University of Minnesota)
*This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award DE-FG02-17ER16362
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