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المؤلفون: Heinen, Stefan, Khan, Danish, Falk von Rudorff, Guido, Karandashev, Konstantin, Arismendi Arrieta, Daniel Jose, Price, Alastair J. A., Nandi, Surajit, Bhowmik, Arghya, Hermansson, Kersti, Professor, von Lilienfeld, O. Anatole
المصدر: eSSENCE – An eScience Collaboration Machine Learning. 5(2)
مصطلحات موضوعية: quantum machine learning, computational cost, multilevel machine learning, delta learning, quantum chemistry, kernel ridge regression
وصف الملف: electronic
URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-534289
https://doi.org/10.1088/2632-2153/ad4ae5
https://uu.diva-portal.org/smash/get/diva2:1881401/FULLTEXT01.pdf -
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المؤلفون: Karandashev, Konstantin, Weinreich, Jan, Heinen, Stefan, Arismendi Arrieta, Daniel Jose, Falk von Rudorff, Guido, Hermansson, Kersti, Professor, von Lilienfeld, O. Anatole
المصدر: eSSENCE – An eScience Collaboration Journal of Chemical Theory and Computation. 19(23):8861-8870
وصف الملف: electronic
URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-520687
https://doi.org/10.1021/acs.jctc.3c00822
https://uu.diva-portal.org/smash/get/diva2:1827706/FULLTEXT01.pdf -
3دورية أكاديمية
المؤلفون: Magdău, Ioan-BogdanAff1, IDs4152402301100w_cor1, Arismendi-Arrieta, Daniel J., Smith, Holly E., Grey, Clare P., Hermansson, Kersti, Csányi, Gábor
المصدر: npj Computational Materials. 9(1)
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4تقرير
المؤلفون: Castelli, Ivano E., Arismendi-Arrieta, Daniel J., Bhowmik, Arghya, Cekic-Laskovic, Isidora, Clark, Simon, Dominko, Robert, Flores, Eibar, Flowers, Jackson, Frederiksen, Karina Ulvskov, Friis, Jesper, Grimaud, Alexis, Hansen, Karin Vels, Hardwick, Laurence J., Hermansson, Kersti, Königer, Lukas, Lauritzen, Hanne, Cras, Frédéric Le, Li, Hongjiao, Lyonnard, Sandrine, Lorrmann, Henning, Marzari, Nicola, Niedzicki, Leszek, Pizzi, Giovanni, Rahmanian, Fuzhan, Stein, Helge, Uhrin, Martin, Wenzel, Wolfgang, Winter, Martin, Wölke, Christian, Vegge, Tejs
مصطلحات موضوعية: Condensed Matter - Materials Science
URL الوصول: http://arxiv.org/abs/2106.01616
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5تقرير
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6
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المؤلفون: Arismendi Arrieta, Daniel Jose, Sen, Anik, Eriksson, Anders, Broqvist, Peter, Kullgren, Jolla, 1978, Hermansson, Kersti, Professor
المصدر: Journal of Chemical Physics. 159(19)
وصف الملف: electronic
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المؤلفون: Agosta, Lorenzo, Arismendi-Arrieta, Daniel, Dzugutov, Mikhail, Hermansson, Kersti, Professor
المصدر: eSSENCE – An eScience Collaboration Angewandte Chemie International Edition. 62(35)
مصطلحات موضوعية: Hydrophobicity, Cerium Oxide, Water, Ab-initio Molecular Dynamics, Interfaces
وصف الملف: electronic
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9دورية أكاديمية
المؤلفون: Arismendi-Arrieta, Daniel J., Sen, Anik, Eriksson, Anders, Broqvist, Peter, Kullgren, Jolla, Hermansson, Kersti
المصدر: Journal of Chemical Physics; 11/21/2023, Vol. 159 Issue 19, p1-15, 15p
مصطلحات موضوعية: DENSITY functionals, FUNCTIONAL assessment, DENSITY functional theory, ICE crystals, FUNCTIONALS, ICE, ENERGY consumption
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10
المصدر: Molecules. 27(5)
مصطلحات موضوعية: electronic structure calculations, molecular interactions, benchmark protocol, data-driven modeling, genetic algorithm, ions hydration
وصف الملف: electronic