{"bio" ""
 "city" "Berlin"
 "country" "DE"
 "department" "Theory"
 "description-of-work" "Kernel-based machine learning models for fast and accurate estimation of electronic structure calculations outcomes.\r\n\r\nBibliography\r\n* Matthias Rupp: Machine Learning for Quantum Mechanics in a Nutshell, International Journal of Quantum Chemistry, 115(16): 1058–1073, 2015. DOI http://dx.doi.org/10.1002/qua.24954\r\n* Matthias Rupp, Raghunathan Ramakrishnan, O. Anatole von Lilienfeld: Machine Learning for Quantum Mechanical Properties of Atoms in Molecules, Journal of Physical Chemistry Letters, 6(16): 3309–3313, 2015. DOI http://dx.doi.org/10.1021/acs.jpclett.5b01456\r\n* John C. Snyder, Matthias Rupp, Katja Hansen, Klaus-Robert Müller, Kieron Burke: Finding Density Functionals with Machine Learning, Physical Review Letters, 108(25): 253002, 2012. DOI http://dx.doi.org/10.1103/PhysRevLett.108.253002\r\n* Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller, O. Anatole von Lilienfeld: Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning, Physical Review Letters, 108(5): 058301, 2012. DOI http://dx.doi.org/10.1103/PhysRevLett.108.058301\r\n\r\nComplete list at https://mrupp.info/publications.html"
 "email" ""
 "first-name" "Matthias"
 "institution" "Fritz Haber Institute of the Max Planck Society"
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