I am a research scientist at Microsoft AI for Science in Berlin. My research interests include generative models for proteins, machine learning for computational molecular/material science, and molecular dynamics simulation.

How to pronounce my name: 谢 Xiè /∫e:/ 玙 Yú /jü/

Email, Google scholar, Twitter, Github

CV - Yu Xie 谢玙

News

• 2025.7.9 - I give a talk on BioEmu at AI4X conference in Singapore.
• 2024.10.11 - I give a talk on “Uncertainty-aware molecular dynamics from Bayesian active learning for phase transformations and thermal transport” at Colloquium@T2P seminar series at Humboldt University Theoretical Transport Physics group.
• 2023.4.28 - I give a talk on “Machine Learning Bayesian Force Fields, Uncertainty Quantification and Active Learning” to the quantum simulation group at LLNL.
• 2023.4.26 - I pass my thesis defense “Machine Learning Bayesian Force Fields and Applications to Phase Transformations”.
• 2023.3.6 - Our paper "Uncertainty-aware molecular dynamics from Bayesian active learning for phase transformations and thermal transport in SiC" is published on npj Computational Materials. Check it here.

All news

Other activities

I play Launchpad as an isomorphic MIDI keyboard. Check my channels on YouTube and Bilibili.

Miscellaneous