Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session Q60: Machine Learning of Molecules and Materials: Electronic Structure II
3:00 PM–5:48 PM,
Wednesday, March 6, 2024
Room: 207AB
Sponsoring
Unit:
DCOMP
Chair: Stefano Falletta, Harvard University
Abstract: Q60.00008 : Automatic differentiation approach for obtaining exchange-correlation functional derivatives*
4:48 PM–5:00 PM
Presenter:
Jaylyn C Umana
(The Graduate Center, City University of New York; Center for Computational Quantum Physics, Flatiron Institute)
Authors:
Jaylyn C Umana
(The Graduate Center, City University of New York; Center for Computational Quantum Physics, Flatiron Institute)
Matija Medvidović
(Columbia University; Center for Computational Quantum Physics, Flatiron Institute)
Angel Rubio
(Max Planck Institute for the Structure & Dynamics of Matter; Center for Computational Quantum Physics, Flatiron Institute)
Johannes Flick
(City College of New York; The Graduate Center, City University of New York; Center for Computational Quantum Physics, Flatiron Institute)
*J.C.U. and M.M. are supported by the CCQ graduate fellowships in computational quantum physics at their respective institutions. The Flatiron Institute is a division of the Simons Foundation.
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