Tian Xie
Researcher @ Microsoft Research. Previously @ MIT CSAIL & DMSE, DeepMind, Google X.

Welcome! I am a Senior Researcher at Microsoft Research working on AI for materials discovery. I am part of the newly founded ML for molecular simulation intiative.
Research interests: I am interested in solving the global sustainability challenges by combining machine learning and large scale molecular simulation. I believe it requires integrated innovations in three aspects: 1) designing physics motivated machine learning algorithms; 2) creating infrastructure for large scale molecular simulation; and 3) inventing new collaborative frameworks between computational and experimental experts. I work with a highly interdiscripnary team to rethink the paradigm for materials discovery, aiming for solving sustainability related problems with real-world impact.
Previously: I was a postdoc in the Computer Science and Artificial Intelligence Laboratory (CSAIL) at MIT from 2020 to 2022, co-advised by Tommi Jaakkola and Regina Barzilay. I got my PhD in Materials Science and Engineering at MIT in 2020, advised by Jeffrey C. Grossman. I got my BS in Chemistry at Peking University in 2015. I was a research intern at DeepMind, working with Pushmeet Kohli and James Kirkpatrick in 2019/05. I was a research intern at Google X in 2019/02.
recent news [earlier]
2022/02 | I joined Microsoft Research as a Senior Researcher. I will work on ML for materials in the newly founded molecular modeling intiative. |
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2021/12 | I will give a contributed talk (top 2 %) about our latest CDVAE paper at the NeurIPS ML4Physics workshop on Dec. 13, 2021. |
2021/10 | Excited to share our latest preprint “Crystal Diffusion Variational Autoencoder for Periodic Material Generation” on arXiv. Update (2021/12): code and data are now available on our github repo. |