@Comment { \documentclass{article} \usepackage{url} \begin{document} This Model Driver originally published in \cite{OpenKIM-MD:915965102628:000a, OpenKIM-MD:915965102628:000b, OpenKIM-MD:915965102628:000c} is archived in \cite{OpenKIM-MD:915965102628:000, tadmor:elliott:2011, elliott:tadmor:2011}. \bibliographystyle{vancouver} \bibliography{kimcite-MD_915965102628_000.bib} \end{document} } @Misc{OpenKIM-MD:915965102628:000, author = {Gabor Csanyi and James Kermode and Noam Bernstein and Albert P. Bartók-Pártay and Miguel A. Caro and Michael C. Payne and Risi Kondor and Alessandro De Vita}, title = {{QUIP} {M}odel {D}river v000}, doi = {10.25950/c284446c}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/c284446c}}, keywords = {OpenKIM, Model Driver, MD_915965102628_000}, publisher = {OpenKIM}, year = 2023, } @Article{tadmor:elliott:2011, author = {E. B. Tadmor and R. S. Elliott and J. P. Sethna and R. E. Miller and C. A. Becker}, title = {The potential of atomistic simulations and the {K}nowledgebase of {I}nteratomic {M}odels}, journal = {{JOM}}, year = {2011}, volume = {63}, number = {7}, pages = {17}, doi = {10.1007/s11837-011-0102-6}, } @Misc{elliott:tadmor:2011, author = {Ryan S. Elliott and Ellad B. Tadmor}, title = {{K}nowledgebase of {I}nteratomic {M}odels ({KIM}) Application Programming Interface ({API})}, howpublished = {\url{https://openkim.org/kim-api}}, publisher = {OpenKIM}, year = 2011, doi = {10.25950/ff8f563a}, } @Article{OpenKIM-MD:915965102628:000a, author = {Cs{\'a}nyi, G{\'a}bor and Winfield, Steven and Kermode, J R and De Vita, A and Comisso, Alessio and Bernstein, Noam and Payne, Michael C}, journal = {IoP Comput. Phys. Newsletter}, pages = {Spring 2007}, title = {Expressive Programming for Computational Physics in {F}ortran 95+}, year = {2007}, } @Article{OpenKIM-MD:915965102628:000b, author = {Bart{\'o}k, Albert P and Payne, Mike C and Kondor, Risi and Cs{\'a}nyi, G{\'a}bor}, doi = {10.1103/PhysRevLett.104.136403}, issn = {0031-9007, 1079-7114}, journal = {Phys. Rev. Lett.}, month = {apr}, number = {13}, pages = {136403}, pmid = {20481899}, title = {Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons}, volume = {104}, year = {2010}, } @Article{OpenKIM-MD:915965102628:000c, author = {Caro, Miguel A.}, doi = {10.1103/PhysRevB.100.024112}, issue = {2}, journal = {Phys. Rev. B}, month = {jul}, numpages = {11}, pages = {024112}, publisher = {American Physical Society}, title = {Optimizing many-body atomic descriptors for enhanced computational performance of machine learning based interatomic potentials}, url = {https://link.aps.org/doi/10.1103/PhysRevB.100.024112}, volume = {100}, year = {2019}, }