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Learning ground states of quantum Hamiltonians with graph networks

Learning ground states of quantum Hamiltonians with graph networks

12 October 2021
Dmitrii Kochkov
Tobias Pfaff
Alvaro Sanchez-Gonzalez
Peter W. Battaglia
B. Clark
ArXivPDFHTML

Papers citing "Learning ground states of quantum Hamiltonians with graph networks"

7 / 7 papers shown
Title
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
Yunyang Li
Zaishuo Xia
Lin Huang
Xinran Wei
Han Yang
...
Zun Wang
Chang-Shu Liu
Jia Zhang
Bin Shao
Mark B. Gerstein
77
0
0
26 Feb 2025
A Score-Based Model for Learning Neural Wavefunctions
A Score-Based Model for Learning Neural Wavefunctions
Xuan Zhang
Shenglong Xu
Shuiwang Ji
DiffM
25
1
0
25 May 2023
Port-metriplectic neural networks: thermodynamics-informed machine
  learning of complex physical systems
Port-metriplectic neural networks: thermodynamics-informed machine learning of complex physical systems
Quercus Hernandez
Alberto Badías
Francisco Chinesta
Elías Cueto
PINN
AI4CE
27
13
0
03 Nov 2022
MultiScale MeshGraphNets
MultiScale MeshGraphNets
Meire Fortunato
Tobias Pfaff
Peter Wirnsberger
Alexander Pritzel
Peter W. Battaglia
AI4CE
30
68
0
02 Oct 2022
ComENet: Towards Complete and Efficient Message Passing for 3D Molecular
  Graphs
ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs
Limei Wang
Yi Liu
Yu-Ching Lin
Hao Liu
Shuiwang Ji
GNN
38
89
0
17 Jun 2022
Speeding up Learning Quantum States through Group Equivariant
  Convolutional Quantum Ansätze
Speeding up Learning Quantum States through Group Equivariant Convolutional Quantum Ansätze
Han Zheng
Zimu Li
Junyu Liu
Sergii Strelchuk
Risi Kondor
53
54
0
14 Dec 2021
Deep neural network solution of the electronic Schrödinger equation
Deep neural network solution of the electronic Schrödinger equation
J. Hermann
Zeno Schätzle
Frank Noé
149
446
0
16 Sep 2019
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