A deep neural network for molecular wave functions in quasi-atomic minimal basis representation
Author:
Affiliation:
1. Machine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany
2. Department of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, United Kingdom
Funder
European Commission−Marie Sklodowska-Curie Program
Engineering and Physical Sciences Research Council
UK Research and Innovation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0012911
Reference44 articles.
1. Machine learning and the physical sciences
2. Machine learning for molecular and materials science
3. Machine learning unifies the modeling of materials and molecules
4. Quantum Chemistry in the Age of Machine Learning
5. Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces
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