Transferable Machine-Learning Model of the Electron Density
Andrea Grisafi,
Alberto Fabrizio,
Benjamin Meyer,
David M. Wilkins,
Clemence Corminboeuf,
Michele Ceriotti
Affiliations
Andrea Grisafi
Laboratory of Computational Science and Modeling, IMX, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland
Alberto Fabrizio
Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland
Benjamin Meyer
Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland
David M. Wilkins
Laboratory of Computational Science and Modeling, IMX, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland
Clemence Corminboeuf
Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland
Michele Ceriotti
Laboratory of Computational Science and Modeling, IMX, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland