Publikationen von Katja Hansen
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Zeitschriftenartikel (6)
2015
Zeitschriftenartikel
Hansen, K., , , , , und A. Tkatchenko: Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space. The Journal of Physical Chemistry Letters 6 (11), 2326–2331 (2015).
2013
Zeitschriftenartikel
Hansen, K., , , , , M. Scheffler, , A. Tkatchenko und : Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies. Journal of Chemical Theory and Computation 9 (8), 3404–3419 (2013).
Zeitschriftenartikel
V. Gobre, , K. Hansen, A. Tkatchenko, und : Machine Learning of Molecular Electronic Properties in Chemical Compound Space. New Journal of Physics 15 (9), 095003 (2013).
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Zeitschriftenartikel
K. Hansen, , und : Orbital-free bond breaking via machine learning. The Journal of Chemical Physics 139 (22), 224104 (2013).
, , 2012
Zeitschriftenartikel
K. Hansen, und : Multi-task learning for pKa prediction. Journal of Computer-Aided Molecular Design 26 (7), 883–895 (2012).
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