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QUIP Model Driver v000
Description Model driver for the QUIP library.\n\nQUIP git version: b0e43eb\nSubmodule path 'src/GAP': checked out '6c3375f'\nSubmodule path 'src/GAP/soap_turbo': checked out '03f9d82'\nSubmodule path 'src/fox': checked out 'b5b69ef'\n Drs. Noam Bernstein, Gábor Csányi, Alessandro De Vita, and James Kermode were the main developers of the libAtoms/QUIP framework used by the model driver. Drs. Albert Bartók-Pártay, Gábor Csányi, Risi Kondor, and Mike Payne were the original developers of the Gaussian approximation potential (GAP) interatomic potential method. Dr. Miguel Caro was the developer of the turbo-SOAP descriptor used by some GAP potentials.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Content Origin https://github.com/libAtoms/QUIP
Content Other Locations https://libatoms.github.io/QUIP
Contributor Noam Bernstein
Maintainer Noam Bernstein
Developer Gabor Csanyi
James Kermode
Noam Bernstein
Albert P. Bartók-Pártay
Miguel A. Caro
Michael C. Payne
Risi Kondor
Alessandro De Vita
Published on KIM 2023
How to Cite

This Model Driver originally published in [1-3] is archived in OpenKIM [4-6].

[1] Csányi G, Winfield S, Kermode JR, De Vita A, Comisso A, Bernstein N, et al. Expressive Programming for Computational Physics in Fortran 95+. IoP Comput Phys Newsletter. 2007;:Spring 2007. — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information.

[2] Bartók AP, Payne MC, Kondor R, Csányi G. Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons. Phys Rev Lett. 2010Apr;104(13):136403. doi:10.1103/PhysRevLett.104.136403

[3] Caro MA. Optimizing many-body atomic descriptors for enhanced computational performance of machine learning based interatomic potentials. Phys Rev B [Internet]. 2019Jul;100(2):024112. Available from: https://link.aps.org/doi/10.1103/PhysRevB.100.024112 doi:10.1103/PhysRevB.100.024112

[4] Csanyi G, Kermode J, Bernstein N, Bartók-Pártay AP, Caro MA, Payne MC, et al. QUIP Model Driver v000. OpenKIM; 2023. doi:10.25950/c284446c

[5] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[6] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
Extended KIM ID
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DOI 10.25950/c284446c
KIM Item TypeModel Driver
KIM API Version2.2
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Fortran

Models using this Model Driver


QUIP__MD_915965102628_000.txz Tar+XZ Linux and OS X archive
QUIP__MD_915965102628_000.zip Zip Windows archive
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