Towards Harmonization of SO(3)-Equivariance and Expressiveness: a Hybrid
Deep Learning Framework for Electronic-Structure Hamiltonian Prediction

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Towards Harmonization of SO(3)-Equivariance and Expressiveness: a Hybrid Deep Learning Framework for Electronic-Structure Hamiltonian Prediction

1 January 2024

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Papers citing "Towards Harmonization of SO(3)-Equivariance and Expressiveness: a Hybrid Deep Learning Framework for Electronic-Structure Hamiltonian Prediction"

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Title
From Theory to Practice: Advancing Multi-Robot Path Planning Algorithms and Applications Teng Guo 64 0 0 11 Jun 2025
Spherical Channels for Modeling Atomic Interactions C. L. Zitnick Abhishek Das Adeesh Kolluru Janice Lan Muhammed Shuaibi Anuroop Sriram Zachary W. Ulissi Brandon M. Wood 120 59 0 29 Jun 2022
SE(3)-equivariant prediction of molecular wavefunctions and electronic densities Oliver T. Unke Mihail Bogojeski M. Gastegger Mario Geiger Tess E. Smidt Klaus-Robert Muller 56 93 0 04 Jun 2021
SE(3)-Transformers: 3D Roto-Translation Equivariant Attention Networks F. Fuchs Daniel E. Worrall Volker Fischer Max Welling 3DPC 153 692 0 18 Jun 2020
Unifying machine learning and quantum chemistry -- a deep neural network for molecular wavefunctions Kristof T. Schütt M. Gastegger A. Tkatchenko K. Müller R. Maurer AI4CE 81 389 0 24 Jun 2019
Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds Nathaniel Thomas Tess E. Smidt S. Kearnes Lusann Yang Li Li Kai Kohlhoff Patrick F. Riley 3DPC 95 973 0 22 Feb 2018
Covariant Compositional Networks For Learning Graphs Risi Kondor H. Son Horace Pan Brandon M. Anderson Shubhendu Trivedi GNN 88 168 0 07 Jan 2018
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics Han Wang Linfeng Zhang Jiequn Han E. Weinan AI4CE 72 1,240 0 11 Dec 2017
Steerable CNNs Taco S. Cohen Max Welling BDL 140 499 0 27 Dec 2016
Spatial Transformer Networks Max Jaderberg Karen Simonyan Andrew Zisserman Koray Kavukcuoglu 300 7,387 0 05 Jun 2015