Han Yang

A generative model for inorganic materials design

Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Zilong Wang, Aliaksandra Shysheya, Jonathan Crabbé, Shoko Ueda, Roberto Sordillo, Lixin Sun, Jake Smith, Bichlien Nguyen, Hannes Schulz, Sarah Lewis, Chin-Wei Huang, Ziheng Lu, Yichi Zhou, Han Yang, Hongxia Hao, Jielan Li, Chunlei Yang, Wenjie Li, Ryota Tomioka, Tian Xie

Nature | January 2025

Publication

MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures

Han Yang, Chenxi Hu, Yichi Zhou, Xixian Liu, Yu Shi, Jielan Li, Guanzhi Li, Zekun Chen, Shuizhou Chen, Claudio Zeni, Matthew Horton, Robert Pinsler, Andrew Fowler, Daniel Zügner, Tianyidan Xie, Jake Smith, Lixin Sun, Qian Wang, Lingyu Kong, Chang Liu, Hongxia Hao, Ziheng Lu

May 2024

Publication

Training-free Multi-objective Diffusion Model for 3D Molecule Generation

Xu Han, Caihua Shan, Yifei Shen, Can Xu, Han Yang, Xiang Li, Dongsheng Li

ICLR 2024 | April 2024

Publication

Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation

Yunyang Li, Yusong Wang, Lin Huang, Han Yang, Xinran wei, Jia Zhang, Tong Wang, Zun Wang, Bin Shao, Tie-Yan Liu

April 2023

Preprint

A generative model for inorganic materials design

Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Zilong Wang, Aliaksandra Shysheya, Jonathan Crabbé, Shoko Ueda, Roberto Sordillo, Lixin Sun, Jake Smith, Bichlien Nguyen, Hannes Schulz, Sarah Lewis, Chin-Wei Huang, Ziheng Lu, Yichi Zhou, Han Yang, Hongxia Hao, Jielan Li, Chunlei Yang, Wenjie Li, Ryota Tomioka, Tian Xie

Nature | January 2025

Publication

MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures

Han Yang, Chenxi Hu, Yichi Zhou, Xixian Liu, Yu Shi, Jielan Li, Guanzhi Li, Zekun Chen, Shuizhou Chen, Claudio Zeni, Matthew Horton, Robert Pinsler, Andrew Fowler, Daniel Zügner, Tianyidan Xie, Jake Smith, Lixin Sun, Qian Wang, Lingyu Kong, Chang Liu, Hongxia Hao, Ziheng Lu

May 2024

Publication

Training-free Multi-objective Diffusion Model for 3D Molecule Generation

Xu Han, Caihua Shan, Yifei Shen, Can Xu, Han Yang, Xiang Li, Dongsheng Li

ICLR 2024 | April 2024

Publication

Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation

Yunyang Li, Yusong Wang, Lin Huang, Han Yang, Xinran wei, Jia Zhang, Tong Wang, Zun Wang, Bin Shao, Tie-Yan Liu

April 2023

Preprint

A generative model for inorganic materials design

Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Zilong Wang, Aliaksandra Shysheya, Jonathan Crabbé, Shoko Ueda, Roberto Sordillo, Lixin Sun, Jake Smith, Bichlien Nguyen, Hannes Schulz, Sarah Lewis, Chin-Wei Huang, Ziheng Lu, Yichi Zhou, Han Yang, Hongxia Hao, Jielan Li, Chunlei Yang, Wenjie Li, Ryota Tomioka, Tian Xie

Nature | January 2025

Publication

Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation

Yunyang Li, Yusong Wang, Lin Huang, Han Yang, Xinran wei, Jia Zhang, Tong Wang, Zun Wang, Bin Shao, Tie-Yan Liu

April 2023

Preprint

Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation

Yunyang Li, Yusong Wang, Lin Huang, Han Yang, Xinran wei, Jia Zhang, Tong Wang, Zun Wang, Bin Shao, Tie-Yan Liu

April 2023

Preprint

A generative model for inorganic materials design

Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Zilong Wang, Aliaksandra Shysheya, Jonathan Crabbé, Shoko Ueda, Roberto Sordillo, Lixin Sun, Jake Smith, Bichlien Nguyen, Hannes Schulz, Sarah Lewis, Chin-Wei Huang, Ziheng Lu, Yichi Zhou, Han Yang, Hongxia Hao, Jielan Li, Chunlei Yang, Wenjie Li, Ryota Tomioka, Tian Xie

Nature | January 2025

Publication

Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation

Yunyang Li, Yusong Wang, Lin Huang, Han Yang, Xinran wei, Jia Zhang, Tong Wang, Zun Wang, Bin Shao, Tie-Yan Liu

April 2023

Preprint

MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures

Han Yang, Chenxi Hu, Yichi Zhou, Xixian Liu, Yu Shi, Jielan Li, Guanzhi Li, Zekun Chen, Shuizhou Chen, Claudio Zeni, Matthew Horton, Robert Pinsler, Andrew Fowler, Daniel Zügner, Tianyidan Xie, Jake Smith, Lixin Sun, Qian Wang, Lingyu Kong, Chang Liu, Hongxia Hao, Ziheng Lu

May 2024

Publication

Training-free Multi-objective Diffusion Model for 3D Molecule Generation

Xu Han, Caihua Shan, Yifei Shen, Can Xu, Han Yang, Xiang Li, Dongsheng Li

ICLR 2024 | April 2024

Publication