Daniel Zügner

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

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

Publication Video Video Video

Two for one: Diffusion models and force fields for coarse-grained molecular dynamics

Marloes Arts, Victor Garcia Satorras, Chin-Wei Huang, Daniel Zügner, Marco Federici, Cecilia Clementi, Frank Noé, Rianne van den Berg, Robert Pinsler

Journal of Chemical Theory and Computation | February 2023, Vol 19(18): pp. 6151-6159

Publication 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

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

Publication Video Video Video

Two for one: Diffusion models and force fields for coarse-grained molecular dynamics

Marloes Arts, Victor Garcia Satorras, Chin-Wei Huang, Daniel Zügner, Marco Federici, Cecilia Clementi, Frank Noé, Rianne van den Berg, Robert Pinsler

Journal of Chemical Theory and Computation | February 2023, Vol 19(18): pp. 6151-6159

Publication 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

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

Publication Video Video Video

Two for one: Diffusion models and force fields for coarse-grained molecular dynamics

Marloes Arts, Victor Garcia Satorras, Chin-Wei Huang, Daniel Zügner, Marco Federici, Cecilia Clementi, Frank Noé, Rianne van den Berg, Robert Pinsler

Journal of Chemical Theory and Computation | February 2023, Vol 19(18): pp. 6151-6159

Publication Preprint