Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations

Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations

23 May 2024

Stephan Günnemann

Papers citing "Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations"

12 / 12 papers shown

Title
Learning Equivariant Non-Local Electron Density Functionals Nicholas Gao Eike Eberhard Stephan Günnemann 58 2 0 10 Oct 2024
Highly Accurate Real-space Electron Densities with Neural Networks Lixue Cheng P. Szabó Zeno Schätzle Derk Kooi Jonas Köhler Klaas J. H. Giesbertz Frank Noé J. Hermann Paola Gori-Giorgi Adam Foster 80 5 0 02 Sep 2024
Variational Monte Carlo on a Budget -- Fine-tuning pre-trained Neural Wavefunctions Michael Scherbela Leon Gerard Philipp Grohs 53 7 0 15 Jul 2023
Neural Wave Functions for Superfluids Wanqi Lou H. Sutterud G. Cassella W. Foulkes J. Knolle David Pfau J. Spencer 44 15 0 11 May 2023
Ewald-based Long-Range Message Passing for Molecular Graphs Arthur Kosmala Johannes Gasteiger Nicholas Gao Stephan Günnemann 110 30 0 08 Mar 2023
Generalizing Neural Wave Functions Nicholas Gao Stephan Günnemann 37 24 0 08 Feb 2023
Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation Jeffmin Lin Gil Goldshlager Lin Lin 67 23 0 07 Dec 2021
Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks Michael Scherbela Rafael Reisenhofer Leon Gerard P. Marquetand Philipp Grohs 76 50 0 18 May 2021
Directional Message Passing for Molecular Graphs Johannes Klicpera Janek Groß Stephan Günnemann 122 875 0 06 Mar 2020
Deep neural network solution of the electronic Schrödinger equation J. Hermann Zeno Schätzle Frank Noé 208 456 0 16 Sep 2019
Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks David Pfau J. Spencer A. G. Matthews W. Foulkes 78 463 0 05 Sep 2019
Large Batch Optimization for Deep Learning: Training BERT in 76 minutes Yang You Jing Li Sashank J. Reddi Jonathan Hseu Sanjiv Kumar Srinadh Bhojanapalli Xiaodan Song J. Demmel Kurt Keutzer Cho-Jui Hsieh ODL 230 996 0 01 Apr 2019