Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session Q46: Emerging Trends in Molecular Dynamics Simulations and Machine Learning II
3:00 PM–5:48 PM,
Wednesday, March 16, 2022
Room: McCormick Place W-470A
Sponsoring
Units:
DCOMP GDS DSOFT DPOLY
Chair: Thomas Linker, University of Southern California
Abstract: Q46.00009 : Neural Network Potentials for CO2 Adsorption in Amine-Appended Metal-Organic Frameworks*
5:24 PM–5:36 PM
Presenter:
Yusuf Shaidu
(University of California, Berkeley)
Authors:
Yusuf Shaidu
(University of California, Berkeley)
Jeffrey B Neaton
(Lawrence Berkeley National Laboratory)
[1] Kim et al., Science 369, 392–396 (2020)
*This work is supported by DOE, and computational resources are provided by NERSC
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