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MSR AI for Science

Materials

Using AI to reshape how we design and innovate advanced materials

Publications

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- Probing the Limit of Heat Transfer in Inorganic Crystals with Deep Learning
  
  Jielan Li, Zekun Chen, Qian Wang, Han Yang, Ziheng Lu, Guanzhi Li, Shuizhou Chen, Yu Zhu, Xixian Liu, Junfu Tan, Mingfa Tang, Yichi Zhou, Claudio Zeni, Andrew Fowler, Daniel Zugner, Robert Pinsler, Matthew Horton, Tianyidan Xie, Tiemin Liu, Haiguang Liu, Tao Qin, Bing Lv, Davide Donadio, Hongxia Hao
  
  March 2025
  
  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 Access
- MatterGen: a generative model for inorganic materials design
  
  Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Sasha Shysheya, Jonathan Crabbé, Lixin Sun, Jake Smith, Ryota Tomioka, Tian Xie
  
  December 2023
  
  PDF Publication Video Video Video Access

- Probing the Limit of Heat Transfer in Inorganic Crystals with Deep Learning
  
  Jielan Li, Zekun Chen, Qian Wang, Han Yang, Ziheng Lu, Guanzhi Li, Shuizhou Chen, Yu Zhu, Xixian Liu, Junfu Tan, Mingfa Tang, Yichi Zhou, Claudio Zeni, Andrew Fowler, Daniel Zugner, Robert Pinsler, Matthew Horton, Tianyidan Xie, Tiemin Liu, Haiguang Liu, Tao Qin, Bing Lv, Davide Donadio, Hongxia Hao
  
  March 2025
  
  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 Access
- MatterGen: a generative model for inorganic materials design
  
  Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Sasha Shysheya, Jonathan Crabbé, Lixin Sun, Jake Smith, Ryota Tomioka, Tian Xie
  
  December 2023
  
  PDF Publication Video Video Video Access

- Probing the Limit of Heat Transfer in Inorganic Crystals with Deep Learning
  
  Jielan Li, Zekun Chen, Qian Wang, Han Yang, Ziheng Lu, Guanzhi Li, Shuizhou Chen, Yu Zhu, Xixian Liu, Junfu Tan, Mingfa Tang, Yichi Zhou, Claudio Zeni, Andrew Fowler, Daniel Zugner, Robert Pinsler, Matthew Horton, Tianyidan Xie, Tiemin Liu, Haiguang Liu, Tao Qin, Bing Lv, Davide Donadio, Hongxia Hao
  
  March 2025
  
  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 Access
- MatterGen: a generative model for inorganic materials design
  
  Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Sasha Shysheya, Jonathan Crabbé, Lixin Sun, Jake Smith, Ryota Tomioka, Tian Xie
  
  December 2023
  
  PDF Publication Video Video Video Access