Microsoft Research
AI for Science

Patricia Brandl, Lukas Lüthy, Felix Pultar, Moritz Hansen, Nicola Jelmini, Justin H Faris, S. O. Yasmin, A. S. Kamenik, René Arnold, Marc-Olivier Ebert, S. Wolfrum, R. Lokey, Sereina Riniker, Erick M. Carreira

Journal of the American Chemical Society | November 2025

Gregor Simm, Jean Helie, Hannes Schulz, Yicheng Chen, Guillem Simeon, Anna Kuzina, Ernesto Martinez-Baez, Piero Gasparotto, Gabriele Tocci, Chi Chen, Yatao Li, Lixue Cheng, Zun Wang, Bichlien Nguyen, Jake Smith, Lixin Sun

October 2025

arXiv | October 2025

Haoran Sun, Liang He, Pan Deng, Guoqing Liu, Zhiyu Zhao, Yuliang Jiang, Chuan Cao, Fusong Ju, Lijun Wu, Haiguang Liu, Tao Qin, Tie-Yan Liu

Nature Machine Intelligence | September 2025

Github

Thomas Gasevic, Marcel Müller, J. Schöps, Stephanie Marisa Graterol Pérez, Jan Hermann, S. Grimme, A. Hansen

Journal of chemical information and modeling | September 2025

Krzysztof Maziarz, Guoqing Liu, Felix Pultar, John Gardner, Tobias Gensch, Jean Helie, Hubert Misztela, Austin Tripp, Junren Li, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Andrew Baxter, Darren L. Poole, Jennifer M. Elward, Adrian Krzyzanowski, Peter Pogány, Stephen D. Pickett, Ian D. Wall, Christopher M. Bishop, Philip G. Humphreys, James A. Lumley, Mario P. Wiesenfeldt, Marwin H. S. Segler

August 2025

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Sarah Lewis, Tim Hempel, Jose Jimenez-Luna, Michael Gastegger, Yu Xie, Andrew Y. K. Foong, Victor Garcia Satorras, Osama Abdin, Bastiaan S. Veeling, I. Zaporozhets, Yaoyi Chen, Soojung Yang, Arne Schneuing, Jigyasa Nigam, Federico Barbero, Vincent Stimper, Andrew Campbell, Jason Yim, Marten Lienen, Yu Shi, Shuxin Zheng, Hannes Schulz, Usman Munir, Cecilia Clementi, Frank Noé

Science | July 2025

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Adam Foster, Zeno Schätzle, P. B. Szabó, Lixue Cheng, Jonas Köhler, Gino Cassella, Nicholas Gao, Jiawei Li, Frank Noé, Jan Hermann

June 2025

arXiv | June 2025

Github

John Gardner, Hannes Schulz, Jean Helie, Lixin Sun, Gregor Simm

June 2025

arXiv | June 2025

Giulia Luise, Chin-Wei Huang, Thijs Vogels, Derk Kooi, Sebastian Ehlert, Stephanie Lanius, K.J.H. Giesbertz, Amir Karton, Deniz Gunceler, Megan Stanley, Wessel Bruinsma, Lin Huang, Xinran wei, Jose Garrido Torres, Abylay Katbashev, Rodrigo Chavez Zavaleta, Bálint Máté, Sékou-Oumar Kaba, Roberto Sordillo, Yingrong Chen, David B. Williams-Young, Christopher Bishop, Jan Hermann, Rianne van den Berg, Paola Gori-Giorgi

June 2025

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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

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