Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks

18 May 2021

Papers citing "Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks"

9 / 9 papers shown

Title
Variational Monte Carlo on a Budget -- Fine-tuning pre-trained Neural Wavefunctions Michael Scherbela Leon Gerard Philipp Grohs 35 5 0 15 Jul 2023
A Score-Based Model for Learning Neural Wavefunctions Xuan Zhang Shenglong Xu Shuiwang Ji DiffM 28 1 0 25 May 2023
Neural Wave Functions for Superfluids Wanqi Lou H. Sutterud G. Cassella W. Foulkes J. Knolle David Pfau J. Spencer 17 14 0 11 May 2023
Artificial intelligence for artificial materials: moiré atom Di Luo Aidan P. Reddy T. Devakul L. Fu 29 3 0 14 Mar 2023
Predictive Scale-Bridging Simulations through Active Learning S. Karra Mohamed Mehana Nicholas Lubbers Yu Chen A. Diaw ... Christoph Junghans Q. Kang Daniel Livescu T. Germann Hari S. Viswanathan AI4CE 11 1 0 20 Sep 2022
Deep Variational Free Energy Approach to Dense Hydrogen H.-j. Xie Ziqun Li Han Wang Linfeng Zhang Lei Wang 32 9 0 13 Sep 2022
Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions Nicholas Gao Stephan Günnemann 24 36 0 11 Oct 2021
SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and Nonlocal Effects Oliver T. Unke Stefan Chmiela M. Gastegger Kristof T. Schütt H. E. Sauceda K. Müller 174 246 0 01 May 2021
Deep neural network solution of the electronic Schrödinger equation J. Hermann Zeno Schätzle Frank Noé 149 446 0 16 Sep 2019