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Wenhui Duan — most-cited papers & profile · AI for Science
← authors
·
overview
Wenhui Duan
9
papers ·
39
citations ·
90
h-index
Center for Free-Electron Laser Science · Max Planck Institute for the Structure and Dynamics of Matter · Beijing Academy of Quantum Information Sciences · Beihang University · Tsinghua University
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Most-cited papers
Symmetry-adapted graph neural networks for constructing molecular dynamics force fields
2021 · 12 citations
General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian
2022 · 10 citations
Molecular conformer search with low-energy latent space
2022 · 6 citations
Deep-learning electronic-structure calculation of magnetic superstructures
2022 · 3 citations
Efficient hybrid density functional calculation by deep learning
2023 · 3 citations
SA-GAT-SR: Self-Adaptable Graph Attention Networks with Symbolic Regression for high-fidelity material property prediction
2025 · 2 citations
Deep-Learning Density Functional Theory Hamiltonian for Efficient ab initio Electronic-Structure Calculation
2021 · 2 citations
Heterogeneous relational message passing networks for molecular dynamics simulations
2021 · 1 citations
Improving density matrix electronic structure method by deep learning
2024
Top co-authors
Yong Xu
· 7
He Li
· 4
Nianlong Zou
· 4
Xiaoxun Gong
· 4
Zechen Tang
· 3
Zun Wang
· 3
Bing-Lin Gu
· 2
Chong Wang
· 2
Runzhang Xu
· 2
Sibo Zhao
· 2
Boheng Zhao
· 1
Chang Yu Hsieh
· 1
Topics
Materials
Chemistry
Physics ML
Drug Discovery