Quantum deep field: data-driven wave function, electron density generation, and atomization energy prediction and extrapolation with machine learning

16 November 2020

Papers citing "Quantum deep field: data-driven wave function, electron density generation, and atomization energy prediction and extrapolation with machine learning"

4 / 4 papers shown

Title
Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks David Pfau J. Spencer A. G. Matthews W. Foulkes 78 462 0 05 Sep 2019
By-passing the Kohn-Sham equations with machine learning Felix Brockherde Leslie Vogt Li Li M. Tuckerman K. Burke K. Müller AI4CE 64 606 0 09 Sep 2016
Molecular Graph Convolutions: Moving Beyond Fingerprints S. Kearnes Kevin McCloskey Marc Berndl Vijay S. Pande Patrick F. Riley GNN 137 1,449 0 02 Mar 2016
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning M. Rupp A. Tkatchenko K. Müller O. A. von Lilienfeld AI4CE 179 1,590 0 12 Sep 2011