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 T60: Emerging Trends in Molecular Dynamics Simulations and Machine Learning VI
11:30 AM–1:54 PM,
Thursday, March 9, 2023
Room: Room 419
Sponsoring
Unit:
DCOMP
Chair: Pankaj Rajak, Argonne National Laboratory
Abstract: T60.00001 : Prediction of Metal-Organic Framework Adsorption Isotherms using Ab Initio derived Neural Network Potentials*
11:30 AM–11:42 AM
Presenter:
Pedro Guimarães Martins
(University of California, Berkeley)
Authors:
Pedro Guimarães Martins
(University of California, Berkeley)
Yusuf Shaidu
(University of California, Berkeley)
Eric Taw
(University of California, Berkeley)
Alex Smith
(University of California, Berkeley)
Jeffrey B Neaton
(Lawrence Berkeley National Laboratory)
[1] Mercado et al., J. Phys. Chem. C 2016, 120, 23, 12590–12604
*This work is supported by DOE, and computational resources are provided by NERSC
Follow Us |
Engage
Become an APS Member |
My APS
Renew Membership |
Information for |
About APSThe American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics. |
© 2024 American Physical Society
| All rights reserved | Terms of Use
| Contact Us
Headquarters
1 Physics Ellipse, College Park, MD 20740-3844
(301) 209-3200
Editorial Office
100 Motor Pkwy, Suite 110, Hauppauge, NY 11788
(631) 591-4000
Office of Public Affairs
529 14th St NW, Suite 1050, Washington, D.C. 20045-2001
(202) 662-8700