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E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate
  Interatomic Potentials

E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials

8 January 2021
Simon L. Batzner
Albert Musaelian
Lixin Sun
Mario Geiger
J. Mailoa
M. Kornbluth
N. Molinari
Tess E. Smidt
Boris Kozinsky
ArXivPDFHTML

Papers citing "E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials"

7 / 7 papers shown
Title
Learning simple heuristic rules for classifying materials based on chemical composition
Learning simple heuristic rules for classifying materials based on chemical composition
Andrew Ma
Marin Soljacic
15
94
0
05 May 2025
Energy-Based Coarse-Graining in Molecular Dynamics: A Flow-Based Framework Without Data
Energy-Based Coarse-Graining in Molecular Dynamics: A Flow-Based Framework Without Data
Maximilian Stupp
P. S. Koutsourelakis
33
77
0
29 Apr 2025
MatterChat: A Multi-Modal LLM for Material Science
MatterChat: A Multi-Modal LLM for Material Science
Yingheng Tang
Wenbin Xu
Jie Cao
Jianzhu Ma
Weilu Gao
Steve Farrell
Benjamin Erichson
Michael W. Mahoney
Andy Nonaka
105
43
0
18 Feb 2025
Deep Neural Network for Phonon-Assisted Optical Spectra in Semiconductors
Deep Neural Network for Phonon-Assisted Optical Spectra in Semiconductors
Qiangqiang Gu
S. K. Pandey
Zhanghao Zhouyin
45
59
0
02 Feb 2025
Neural Network Matrix Product Operator: A Multi-Dimensionally Integrable Machine Learning Potential
Neural Network Matrix Product Operator: A Multi-Dimensionally Integrable Machine Learning Potential
Kentaro Hino
Yuki Kurashige
24
65
0
31 Oct 2024
Physics-Informed Weakly Supervised Learning for Interatomic Potentials
Physics-Informed Weakly Supervised Learning for Interatomic Potentials
Makoto Takamoto
Viktor Zaverkin
Mathias Niepert
AI4CE
24
68
0
23 Jul 2024
SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and
  Nonlocal Effects
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
142
192
0
01 May 2021
1