المؤلفون: Marco Krummenacher, Moritz Gubler, Jonas A. Finkler, Hannes Huber, Martin Sommer-Jörgensen, Stefan Goedecker

المصدر: SoftwareX, Vol 26, Iss , Pp 101645- (2024)

مصطلحات موضوعية: Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352711024000165; https://doaj.org/toc/2352-7110

URL الوصول: https://doaj.org/article/f779249c84d0420590cd740eb49c6c0f

المؤلفون: Marco Krummenacher, Moritz Gubler, Jonas A. Finkler, Hannes Huber, Martin Sommer-Jörgensen, Stefan Goedecker

المصدر: SoftwareX, Vol 25, Iss , Pp 101632- (2024)

مصطلحات موضوعية: Materials science, Global structure search, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352711024000037; https://doaj.org/toc/2352-7110

URL الوصول: https://doaj.org/article/92f0718cf922488fb6dc3fa115c57bb1

المؤلفون: Moritz Gubler, Marco Krummenacher, Jonas A Finkler, José A Flores-Livas, Stefan Goedecker

المصدر: New Journal of Physics, Vol 25, Iss 12, p 123008 (2023)

مصطلحات موضوعية: room temperature superconductivity, structure prediction, electronic structure calculations, Science, Physics, QC1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1367-2630

URL الوصول: https://doaj.org/article/eda460c227d34d9a8bba1990342c619a

المؤلفون: Akira TSUKAMOTO, Marco KRUMMENACHER, Martin STEINHAUSER, マルコ クルメナハ, マーティン シュタインハウザ, 塚本 哲

المصدر: The Proceedings of Mechanical Engineering Congress, Japan. 2020, :02404

المؤلفون: Moritz Gubler, Marco Krummenacher, Hannes Huber, Stefan Goedecker

المصدر: Journal of Computational Physics: X, Vol 17, Iss , Pp 100131- (2023)

مصطلحات موضوعية: Computational physics, Geometry optimization, Variable cell shape, Materials science, Structure prediction, Potential energy surface, Physics, QC1-999, Electronic computers. Computer science, QA75.5-76.95

Relation: http://www.sciencedirect.com/science/article/pii/S2590055223000094; https://doaj.org/toc/2590-0552; https://doaj.org/article/662a64196dca48898826dea77968c7d6

الاتاحة: https://doi.org/10.1016/j.jcpx.2023.100131
https://doaj.org/article/662a64196dca48898826dea77968c7d6

المؤلفون: Behnam Parsaeifard, Marco Krummenacher, Stefan Goedecker

المصدر: The Journal of Chemical Physics. 157:177102

مصطلحات موضوعية: Models, Molecular, Thermodynamics, General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24e4e91daf28f994a810cddbe78c44d8
https://doi.org/10.1063/5.0099525

المؤلفون: Marco Krummenacher, Martin O. Steinhauser

المصدر: The Journal of Chemical Physics. 157:154904

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f0d6357e9cdff750f81e59ba09803eec
https://doi.org/10.1063/5.0108479

المؤلفون: Bastian Schaefer, Deb Sankar De, Stefan Goedecker, Marco Krummenacher

مصطلحات موضوعية: Physics, Chemical Physics (physics.chem-ph), General Physics and Astronomy, Atom (order theory), FOS: Physical sciences, Computational Physics (physics.comp-ph), 01 natural sciences, Transformation (function), Product (mathematics), Physics - Chemical Physics, 0103 physical sciences, Potential energy surface, Penalty method, Statistical physics, Invariant (mathematics), 010306 general physics, Global optimization, Physics - Computational Physics, Energy (signal processing)

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c019ca3f1b275bae6b2c32154e30abf1
http://arxiv.org/abs/1906.06077