Machine Learning of Coarse-Grained Molecular Dynamics Force Fields

• Jiang Wang,
• Simon Olsson,
• Christoph Wehmeyer,
• Adrià Pérez,
• Nicholas E. Charron,
• Gianni de Fabritiis,
• Frank Noé,
• Cecilia Clementi

Affiliations

Jiang Wang

Center for Theoretical Biological Physics, Rice University, Houston, Texas, United States

Simon Olsson

Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin, Germany

Christoph Wehmeyer

Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin, Germany

Adrià Pérez

Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona, Spain

Nicholas E. Charron

Center for Theoretical Biological Physics, Rice University, Houston, Texas, United States

Gianni de Fabritiis

Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona, Spain

Frank Noé

Center for Theoretical Biological Physics, Rice University, Houston, Texas, United States

Cecilia Clementi

Center for Theoretical Biological Physics, Rice University, Houston, Texas, United States