A Universal Framework for Featurization of Atomistic Systems
Author:
Affiliation:
1. School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c02100
Reference66 articles.
1. Perspective on density functional theory
2. Perspective: Fifty years of density-functional theory in chemical physics
3. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
4. Role of Molecular Dynamics and Related Methods in Drug Discovery
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