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Zun Wang
Zun Wang
Researcher, Microsoft Research
Verified email at microsoft.com
Title
Cited by
Cited by
Year
Intrinsic magnetic topological insulators in van der Waals layered MnBi2Te4-family materials
J Li, Y Li, S Du, Z Wang, BL Gu, SC Zhang, K He, W Duan, Y Xu
Science Advances 5 (6), eaaw5685, 2019
9142019
Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation
H Li, Z Wang, N Zou, M Ye, R Xu, X Gong, W Duan, Y Xu
Nature Computational Science 2 (6), 367-377, 2022
1022022
Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing
Y Wang, T Wang, S Li, X He, M Li, Z Wang, N Zheng, B Shao, TY Liu
Nature Communications 15 (1), 313, 2024
23*2024
Phonon-Limited Valley Polarization in Transition-Metal Dichalcogenides
Z Lin, Y Liu, Z Wang, S Xu, S Chen, W Duan, B Monserrat
Physical Review Letters 129 (2), 027401, 2022
222022
Heterogeneous relational message passing networks for molecular dynamics simulations
Z Wang, C Wang, S Zhao, Y Xu, S Hao, CY Hsieh, BL Gu, W Duan
npj Computational Materials 8 (1), 53, 2022
192022
The Impact of Large Language Models on Scientific Discovery: a Preliminary Study using GPT-4
MR AI4Science, MA Quantum
arXiv preprint arXiv:2311.07361, 2023
162023
Symmetry-adapted graph neural networks for constructing molecular dynamics force fields
Z Wang, C Wang, SB Zhao, SQ Du, Y Xu, BL Gu, WH Duan
Science China Physics, Mechanics & Astronomy 64 (11), 117211, 2021
152021
Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics
Z Wang, H Wu, L Sun, X He, Z Liu, B Shao, T Wang, TY Liu
The Journal of Chemical Physics 159 (3), 2023
122023
Long-Short-Range Message-Passing: A Fragmentation-Based Framework to Capture Non-Local Atomistic Interactions
Y Li, Y Wang, L Huang, H Yang, X Wei, J Zhang, T Wang, Z Wang, B Shao, ...
The Twelfth International Conference on Learning Representations, 2023
10*2023
An ensemble of VisNet, Transformer-M, and pretraining models for molecular property prediction in OGB Large-Scale Challenge@ NeurIPS 2022
Y Wang, S Li, Z Wang, X He, B Shao, TY Liu, T Wang
arXiv preprint arXiv:2211.12791, 2022
52022
Efficiently incorporating quintuple interactions into geometric deep learning force fields
Z Wang, G Liu, Y Zhou, T Wang, B Shao
Thirty-seventh Conference on Neural Information Processing Systems, 2023
22023
Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction
H Zhang, C Liu, Z Wang, X Wei, S Liu, N Zheng, B Shao, TY Liu
Forty-first International Conference on Machine Learning, 2024
1*2024
AI2BMD: efficient characterization of protein dynamics with ab initio accuracy
T Wang, X He, M Li, Y Wang, Z Wang, S Li, B Shao, TY Liu
bioRxiv, 2023.07. 12.548519, 2023
12023
Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models
Z Wang, C Liu, N Zou, H Zhang, X Wei, L Huang, L Wu, B Shao
arXiv preprint arXiv:2406.03794, 2024
2024
SE3Set: Harnessing equivariant hypergraph neural networks for molecular representation learning
H Wu, L Wu, G Liu, Z Liu, B Shao, Z Wang
arXiv preprint arXiv:2405.16511, 2024
2024
Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey
Q Pei, L Wu, K Gao, J Zhu, Y Wang, Z Wang, T Qin, R Yan
arXiv preprint arXiv:2403.01528, 2024
2024
Does AI for science need another ImageNet Or totally different benchmarks? A case study of machine learning force fields
Y Li, W Gao, L Wang, L Sun, Z Wang, J Zhan
International Symposium on Benchmarking, Measuring and Optimization, 38-52, 2023
2023
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