Yu Xie

4PUBLICATIONS
25CO-AUTHORS
Epidemiological modellingDeep learningMetals and alloy materialsComputational chemistry
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Publications (4)

|Oct 26, 2026
Enhanced diffusion sampling: Efficient rare event sampling and free energy calculation with diffusion models.

|Jul 10, 2025
Scalable emulation of protein equilibrium ensembles with generative deep learning.

Sarah Lewis, Tim Hempel, José Jiménez-Luna

|May 06, 2024
Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian force fields.

Cameron J Owen, Yu Xie, Anders Johansson

|Sep 02, 2022
Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt.

Jonathan Vandermause, Yu Xie, Jin Soo Lim

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Frequent Collaborators

2 joint publications

Cameron J Owen

2 joint publications

Tim Hempel

2 joint publications

Frank Noé

2 joint publications

Cecilia Clementi