Principal Researcher
Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Austin Tripp, Junren Li, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
August 2025
Sebastian Ehlert, Jan Hermann, Thijs Vogels, Victor Garcia Satorras, Stephanie Lanius, Marwin Segler, Derk Kooi, Kenji Takeda, Chin-Wei Huang, Giulia Luise, Rianne van den Berg, Paola Gori-Giorgi, Amir Karton
June 2025
Yingce Xia, Peiran Jin, Shufang Xie, Liang He, Chuan Cao, Renqian Luo, Guoqing Liu, Yue Wang, Zequn Liu, Yuan-Jyue Chen, Yuan Chen, Zekun Guo, Yeqi Bai, Pan Deng, Yaosen Min, Zi‐Ang Lu, Hongxia Hao, Han Yang, Jielan Li, Chang Liu, Jia Zhang, Jian-Bo Zhu, Ke-Ming Wu, Wei Zhang, Kaiyuan Gao, Qizhi Pei, Qian Wang, Xixian Liu, Yanting Li, Houtian Zhu, Yeqing Lu, Mingqian Ma, Zun Wang, Tian Xie, Krzysztof Maziarz, Marwin H. S. Segler, Zhao Yang, Zi-wei Chen, Yu Shi, Shuxin Zheng, Lijun Wu, Chen Hu, Peggy Dai, Tiemin Liu, Hai-Long Liu, Tao Qin
March 2025
Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
December 2024
Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin Segler
Faraday Discussions | October 2023
Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Jose Miguel Hernandez-Lobato, Marwin Segler
ICLR 2024 | October 2023
Guoqing Liu, Di Xue, Shufang Xie, Yingce Xia, Austin Tripp, Krzysztof Maziarz, Marwin Segler, Tao Qin, Zongzhang Zhang, Tie-Yan Liu
ICML 2023 | June 2023
Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Guoqing Liu, Marwin Segler
NeurIPS 2022 (AI for Science: Progress and Promises Workshop) | December 2022
Krzysztof Maziarz, Henry Jackson-Flux, Pashmina Cameron, Finton Sirockin, Nadine Schneider, Nikolaus Stiefl, Marwin Segler, Marc Brockschmidt
ICLR 2022 | April 2022
Megan Stanley, John Bronskill, Krzysztof Maziarz, Hubert Misztela, Jessica Lanini, Marwin Segler, Nadine Schneider, Marc Brockschmidt
NeurIPS 2021 | December 2021
Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Austin Tripp, Junren Li, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
August 2025
Sebastian Ehlert, Jan Hermann, Thijs Vogels, Victor Garcia Satorras, Stephanie Lanius, Marwin Segler, Derk Kooi, Kenji Takeda, Chin-Wei Huang, Giulia Luise, Rianne van den Berg, Paola Gori-Giorgi, Amir Karton
June 2025
Yingce Xia, Peiran Jin, Shufang Xie, Liang He, Chuan Cao, Renqian Luo, Guoqing Liu, Yue Wang, Zequn Liu, Yuan-Jyue Chen, Yuan Chen, Zekun Guo, Yeqi Bai, Pan Deng, Yaosen Min, Zi‐Ang Lu, Hongxia Hao, Han Yang, Jielan Li, Chang Liu, Jia Zhang, Jian-Bo Zhu, Ke-Ming Wu, Wei Zhang, Kaiyuan Gao, Qizhi Pei, Qian Wang, Xixian Liu, Yanting Li, Houtian Zhu, Yeqing Lu, Mingqian Ma, Zun Wang, Tian Xie, Krzysztof Maziarz, Marwin H. S. Segler, Zhao Yang, Zi-wei Chen, Yu Shi, Shuxin Zheng, Lijun Wu, Chen Hu, Peggy Dai, Tiemin Liu, Hai-Long Liu, Tao Qin
March 2025
Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
December 2024
Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin Segler
Faraday Discussions | October 2023
Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Jose Miguel Hernandez-Lobato, Marwin Segler
ICLR 2024 | October 2023
Guoqing Liu, Di Xue, Shufang Xie, Yingce Xia, Austin Tripp, Krzysztof Maziarz, Marwin Segler, Tao Qin, Zongzhang Zhang, Tie-Yan Liu
ICML 2023 | June 2023
Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Guoqing Liu, Marwin Segler
NeurIPS 2022 (AI for Science: Progress and Promises Workshop) | December 2022
Krzysztof Maziarz, Henry Jackson-Flux, Pashmina Cameron, Finton Sirockin, Nadine Schneider, Nikolaus Stiefl, Marwin Segler, Marc Brockschmidt
ICLR 2022 | April 2022
Megan Stanley, John Bronskill, Krzysztof Maziarz, Hubert Misztela, Jessica Lanini, Marwin Segler, Nadine Schneider, Marc Brockschmidt
NeurIPS 2021 | December 2021
Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Austin Tripp, Junren Li, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
August 2025
Sebastian Ehlert, Jan Hermann, Thijs Vogels, Victor Garcia Satorras, Stephanie Lanius, Marwin Segler, Derk Kooi, Kenji Takeda, Chin-Wei Huang, Giulia Luise, Rianne van den Berg, Paola Gori-Giorgi, Amir Karton
June 2025
Yingce Xia, Peiran Jin, Shufang Xie, Liang He, Chuan Cao, Renqian Luo, Guoqing Liu, Yue Wang, Zequn Liu, Yuan-Jyue Chen, Yuan Chen, Zekun Guo, Yeqi Bai, Pan Deng, Yaosen Min, Zi‐Ang Lu, Hongxia Hao, Han Yang, Jielan Li, Chang Liu, Jia Zhang, Jian-Bo Zhu, Ke-Ming Wu, Wei Zhang, Kaiyuan Gao, Qizhi Pei, Qian Wang, Xixian Liu, Yanting Li, Houtian Zhu, Yeqing Lu, Mingqian Ma, Zun Wang, Tian Xie, Krzysztof Maziarz, Marwin H. S. Segler, Zhao Yang, Zi-wei Chen, Yu Shi, Shuxin Zheng, Lijun Wu, Chen Hu, Peggy Dai, Tiemin Liu, Hai-Long Liu, Tao Qin
March 2025
Krzysztof Maziarz, Guoqing Liu, Hubert Misztela, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Marwin Segler
December 2024
Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, Marwin Segler
Faraday Discussions | October 2023
Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Jose Miguel Hernandez-Lobato, Marwin Segler
ICLR 2024 | October 2023
Guoqing Liu, Di Xue, Shufang Xie, Yingce Xia, Austin Tripp, Krzysztof Maziarz, Marwin Segler, Tao Qin, Zongzhang Zhang, Tie-Yan Liu
ICML 2023 | June 2023
Austin Tripp, Krzysztof Maziarz, Sarah Lewis, Guoqing Liu, Marwin Segler
NeurIPS 2022 (AI for Science: Progress and Promises Workshop) | December 2022
Krzysztof Maziarz, Henry Jackson-Flux, Pashmina Cameron, Finton Sirockin, Nadine Schneider, Nikolaus Stiefl, Marwin Segler, Marc Brockschmidt
ICLR 2022 | April 2022
Megan Stanley, John Bronskill, Krzysztof Maziarz, Hubert Misztela, Jessica Lanini, Marwin Segler, Nadine Schneider, Marc Brockschmidt
NeurIPS 2021 | December 2021
