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  Systematic atomic structure datasets for machine learning potentials: Application to defects in magnesium

Poul, M., Huber, L., Bitzek, E., & Neugebauer, J. (2023). Systematic atomic structure datasets for machine learning potentials: Application to defects in magnesium. Physical Review B, 107: 104103. doi:10.1103/PhysRevB.107.104103.

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PhysRevB.107.104103.pdf (Publisher version), 3MB
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PhysRevB.107.104103.pdf
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 Creators:
Poul, Marvin1, Author           
Huber, Liam1, Author           
Bitzek, Erik2, 3, Author           
Neugebauer, Jörg4, Author           
Affiliations:
1Thermodynamics and Kinetics of Defects, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_3291769              
2Department of Materials Science and Engineering, Institute i, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Erlangen, Germany, ou_persistent22              
3Microstructure and Mechanics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863344              
4Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              

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Language(s): eng - English
 Dates: 2023-03-13
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1103/PhysRevB.107.104103
 Degree: -

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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 107 Sequence Number: 104103 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008