Hybrid classical/machine-learning force fields for the accurate description of molecular condensed-phase systems
Author:
Affiliation:
1. Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, Zürich 8093, Switzerland
Abstract
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2023/SC/D3SC04317G
Reference131 articles.
1. Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory
2. Ab initio theory and modeling of water
3. Computational complexity of interacting electrons and fundamental limitations of density functional theory
4. Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview
5. J. A.Pople and D. L.Beveridge , Approximate Molecular Orbital Theory , McGraw-Hill , 1970
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