Topology Automated Force-Field Interactions (TAFFI): A Framework for Developing Transferable Force Fields
Author:
Affiliation:
1. Davidson School of Chemical Engineering, Purdue University, West Lafayette, Indiana 47906, United States
2. Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08540, United States
Funder
Princeton University
American Chemical Society Petroleum Research Fund
Division of Chemical, Bioengineering, Environmental, and Transport Systems
Purdue Process Safety and Assurance Center
Dreyfus Program for Machine Learning in the Chemical Sciences and Engineering
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.1c00491
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1. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems
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5. Reactive Potentials for Advanced Atomistic Simulations
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