Machine learning predictions of molecular properties: Accurate many-body potentials and nonlocality in chemical space
English
Hansen, K.[Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, Berlin, Germany]
Biegler, F.[Machine Learning Group, Technical University of Berlin, Marchstr. 23, Berlin, Germany]
Ramakrishnan, R.[Department of Chemistry, National Center for Computational Design and Discovery of Novel Materials, University of Basel, Klingelbergstrasse 80, Basel, Switzerland]
Pronobis, W.[Machine Learning Group, Technical University of Berlin, Marchstr. 23, Berlin, Germany]
Von Lilienfeld, O. A.[Department of Chemistry, National Center for Computational Design and Discovery of Novel Materials, University of Basel, Klingelbergstrasse 80, Basel, Switzerland, Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL, United States]
Müller, K.-R.[Machine Learning Group, Technical University of Berlin, Marchstr. 23, Berlin, Germany, Department of Brain and Cognitive Engineering, Korea University, Anam-dong, Seongbuk-ku, Seoul, South Korea]
Tkatchenko, Alexandre[Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, Berlin, Germany]
MU 987/20, DFG, Natural Sciences and Engineering Research Council of Canada; ERC, Natural Sciences and Engineering Research Council of Canada; NSERC, Natural Sciences and Engineering Research Council of Canada; PP00P2-138932, SNSF, Natural Sciences and Engineering Research Council of Canada