First Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed Systems
Author:
Affiliation:
1. Universität Göttingen; Institut für Physikalische Chemie, Theoretische Chemie; Tammannstrasse 6 37077 Göttingen Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
Wiley
Subject
General Chemistry,Catalysis
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/anie.201703114/fullpdf
Reference140 articles.
1. Twelve outstanding problems in ground-state density functional theory: A bouquet of puzzles
2. Unified Approach for Molecular Dynamics and Density-Functional Theory
3. Ab Initio Molecular Dynamics
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