GPU-Accelerated Neural Network Potential Energy Surfaces for Diffusion Monte Carlo
Author:
Affiliation:
1. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States
Funder
Division of Chemistry
Office of Cyberinfrastructure
National Energy Research Scientific Computing Center
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c03709
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5. Determination of a flexible (12D) water dimer potential via direct inversion of spectroscopic data
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