Publikationen von Katja Hansen
Alle Typen
Zeitschriftenartikel (6)
1.
Zeitschriftenartikel
6 (11), S. 2326 - 2331 (2015)
Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space. The Journal of Physical Chemistry Letters 2.
Zeitschriftenartikel
139 (22), 224104 (2013)
Orbital-free bond breaking via machine learning. The Journal of Chemical Physics 3.
Zeitschriftenartikel
15 (9), 095003 (2013)
Machine Learning of Molecular Electronic Properties in Chemical Compound Space. New Journal of Physics 4.
Zeitschriftenartikel
9 (8), S. 3404 - 3419 (2013)
Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies. Journal of Chemical Theory and Computation 5.
Zeitschriftenartikel
26 (7), S. 883 - 895 (2012)
Multi-task learning for pKa prediction. Journal of Computer-Aided Molecular Design 6.
Zeitschriftenartikel
136 (17), 174101 (2012)
Optimizing transition states via kernel-based machine learning. The Journal of Chemical Physics