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Title: DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models

Journal Article · · Computer Physics Communications

Sponsoring Organization:
USDOE
OSTI ID:
1631382
Journal Information:
Computer Physics Communications, Journal Name: Computer Physics Communications Vol. 253 Journal Issue: C; ISSN 0010-4655
Publisher:
ElsevierCopyright Statement
Country of Publication:
Netherlands
Language:
English
Citation Metrics:
Cited by: 125 works
Citation information provided by
Web of Science

References (24)

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Temperature Variation of the Elastic Constants of Cubic Elements. I. Copper journal May 1955
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Positron trapping in solid and liquid metals journal December 1975
First principles phonon calculations in materials science journal November 2015
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Less is more: Sampling chemical space with active learning journal June 2018
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An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO2 journal March 2016
SchNetPack: A Deep Learning Toolbox For Atomistic Systems journal November 2018
Unified Approach for Molecular Dynamics and Density-Functional Theory journal November 1985
Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals journal October 2013
Phonon Frequencies in Copper at 49 and 298°K journal December 1967
Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics journal April 2018
Active learning of linearly parametrized interatomic potentials journal December 2017
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
cp2k: atomistic simulations of condensed matter systems
  • Hutter, Jürg; Iannuzzi, Marcella; Schiffmann, Florian
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Issue 1 https://doi.org/10.1002/wcms.1159
journal June 2013

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