Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session L25: Assigning Structures to Spectra Using Density Functional Theory: Method and Applications III
8:00 AM–11:00 AM,
Wednesday, March 17, 2021
Sponsoring
Unit:
DCP
Chair: Benjamin Janesko, Texas Christian Univ; Giovanni Scalmani, Gaussian, Inc.
Abstract: L25.00003 : First principles simulations of the liquid-liquid transition in water using deep neural networks
8:48 AM–9:00 AM
Live
Presenter:
Thomas Edward Gartner
(Department of Chemistry, Princeton University)
Authors:
Thomas Edward Gartner
(Department of Chemistry, Princeton University)
Linfeng Zhang
(Program in Applied and Computational Mathematics, Princeton University)
Pablo Piaggi
(Department of Chemistry, Princeton University)
Roberto Car
(Department of Chemistry, Princeton University)
Athanassios Panagiotopoulos
(Department of Chemical & Biological Engineering, Princeton University)
Pablo Gaston Debenedetti
(Department of Chemical & Biological Engineering, Princeton University)
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