Multifidelity Neural Network Formulations for Prediction of Reactive Molecular Potential Energy Surfaces
Author:
Affiliation:
1. Combustion Research Facility, Sandia National Laboratories, Livermore, California 94551, United States
2. Center for Computing Research, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01617
Reference83 articles.
1. From theoretical reaction dynamics to chemical modeling of combustion
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5. Pressure-induced phase transitions in silicon studied by neural network-based metadynamics simulations
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