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Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks
18 May 2021
Michael Scherbela
Rafael Reisenhofer
Leon Gerard
P. Marquetand
Philipp Grohs
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Papers citing
"Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks"
3 / 3 papers shown
Title
Variational Monte Carlo on a Budget -- Fine-tuning pre-trained Neural Wavefunctions
Michael Scherbela
Leon Gerard
Philipp Grohs
25
5
0
15 Jul 2023
Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions
Nicholas Gao
Stephan Günnemann
19
36
0
11 Oct 2021
Deep neural network solution of the electronic Schrödinger equation
J. Hermann
Zeno Schätzle
Frank Noé
133
444
0
16 Sep 2019
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