Researcher
Matthias Rupp
Fritz-Haber-Institut der Max-Planck-Gesellschaft
Statistics
33 papers found
All papers authored by Matthias Rupp
Refreshing results…
,
Matthias Rupp
Unified representation of molecules and crystals for machine learning
Download from iopscience.iop.org
Machine learning for quantum mechanics in a nutshell
Download from onlinelibrary.wiley.com
Special issue on machine learning and quantum mechanics
Download from onlinelibrary.wiley.com
,
Raghunathan Ramakrishnan,
O. Anatole von Lilienfeld,
O. Anatole von Lilienfeld
Machine Learning for Quantum Mechanical Properties of Atoms in Molecules
Download from hdl.handle.net
,
Matthias Rupp ,
O. Anatole von Lilienfeld,
O. Anatole von Lilienfeld
Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach
Download from www.researchgate.net
,
Matthias R. Bauer ,
Rainer Wilcken,
Andreas Lange,
Michael Reutlinger,
Frank M. Boeckler,
Frank M. Böckler,
Gisbert Schneider
Machine Learning Estimates of Natural Product Conformational Energies
Download from doi.org
,
Vivekanand Gobre,
Alvaro Vazquez-Mayagoitia,
Katja Hansen,
Alexandre Tkatchenko,
Klaus-Robert Mueller,
Klaus-Robert Müller,
O. Anatole von Lilienfeld
Machine Learning of Molecular Electronic Properties in Chemical Compound Space
Download from stacks.iop.org
,
Katja Hansen,
Leo Blooston,
Klaus-Robert Müller,
Kieron Burke
Orbital-free bond breaking via machine learning
Download from arxiv.org
,
Alexandre Tkatchenko,
Klaus-Robert Müller,
O. Anatole von Lilienfeld
Download from link.aps.org
Multi-task learning for pKa prediction
Download from doc.rero.ch
,
Felix Reisen,
Ewgenij Proschak,
Sascha Weggen,
Holger Stark,
Gisbert Schneider
DOGS: Reaction-Driven de novo Design of Bioactive Compounds
Download from doi.org
,
Klaus-Robert Müller,
Graeme Henkelman
Optimizing transition states via kernel-based machine learning
Download from www.researchgate.net
,
Katja Hansen,
Klaus-Robert Müller,
Kieron Burke
Finding Density Functionals with Machine Learning
Download from link.aps.org
,
Alexandre Tkatchenko,
Klaus-Robert Müller,
O. Anatole von Lilienfeld
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Download from link.aps.orgMissing publications? Search for publications with a matching author name.