Ab-initio quantum chemistry with neural-network wavefunctions

Ab-initio quantum chemistry with neural-network wavefunctions

26 August 2022

Antonio Mezzacapo

Giuseppe Carleo

Frank Noé

Papers citing "Ab-initio quantum chemistry with neural-network wavefunctions"

6 / 6 papers shown

Title
Gold-standard solutions to the Schrödinger equation using deep learning: How much physics do we need? Leon Gerard Michael Scherbela P. Marquetand Philipp Grohs AI4CE 35 34 0 19 May 2022
Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges M. Bronstein Joan Bruna Taco S. Cohen Petar Velivcković GNN 163 1,095 0 27 Apr 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 183 1,218 0 08 Jan 2021
Deep neural network solution of the electronic Schrödinger equation J. Hermann Zeno Schätzle Frank Noé 138 444 0 16 Sep 2019
The Loss Surfaces of Multilayer Networks A. Choromańska Mikael Henaff Michaël Mathieu Gerard Ben Arous Yann LeCun ODL 175 1,182 0 30 Nov 2014
ImageNet Large Scale Visual Recognition Challenge Olga Russakovsky Jia Deng Hao Su J. Krause S. Satheesh ... A. Karpathy A. Khosla Michael S. Bernstein Alexander C. Berg Li Fei-Fei VLM ObjD 279 39,083 0 01 Sep 2014