Bin Shao

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 6

Top Topics

Molecular Dynamics Simulations

Convolutional Neural Network

Top Venues

Nature computational science

Nature communications

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

He Zhang, Siyuan Liu, Jiacheng You, Chang Liu, Shuxin Zheng, Ziheng Lu, Tong Wang, Nanning Zheng, Bin Shao
Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning. Nature computational science 4 (3) (2024)
He Zhang, Siyuan Liu, Jiacheng You, Chang Liu, Shuxin Zheng, Ziheng Lu, Tong Wang, Nanning Zheng, Bin Shao
Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning. Nature computational science (2024)
Yusong Wang, Tong Wang, Shaoning Li, Xinheng He, Mingyu Li, Zun Wang, Nanning Zheng, Bin Shao, Tie-Yan Liu
Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing. Nature communications 15 (1) (2024)
He Zhang, Siyuan Liu, Jiacheng You, Chang Liu, Shuxin Zheng, Ziheng Lu, Tong Wang, Nanning Zheng, Bin Shao
Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning. Nature computational science 4 (3) (2024)
Yusong Wang, Tong Wang, Shaoning Li, Xinheng He, Mingyu Li, Zun Wang, Nanning Zheng, Bin Shao, Tie-Yan Liu
Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing. Nature communications 15 (1) (2024)
Zun Wang, Hongfei Wu, Lixin Sun, Xin-Heng He, Zhirong Liu, Bin Shao, Tong Wang, Tie-Yan Liu
Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics. The Journal of chemical physics 159 (3) (2023)