Predicting properties of periodic systems from cluster data: A case study of liquid water
Author:
Affiliation:
1. Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany
2. Institute for Stochastics and Applications, University of Stuttgart, Pfaffenwaldring 57, 70569 Stuttgart, Germany
Abstract
Funder
Deutsche Forschungsgemeinschaft
IMPRS-IS
Studienstiftung des Deutschen Volkes
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0078983
Reference102 articles.
1. Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects
2. Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces
3. Atom-centered symmetry functions for constructing high-dimensional neural network potentials
4. Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
5. Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
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