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Peer-reviewedLicence not statedThe Journal of Chemical Physics

Enhanced diffusion sampling: Efficient rare event sampling and free energy calculation with diffusion models

  • Yu Xie1
  • Ludwig Winkler1
  • Lixin Sun2
  • Sarah Lewis2
  • Adam Foster2
  • José Jiménez Luna2
  • Tim Hempel1
  • Michael Gastegger1
  • Yaoyi Chen1
  • Iryna Zaporozhets1
  • Cecilia Clementi3
  • Chris Bishop2
1 more authors
  • Frank Noé1
  1. 11 Microsoft Research AI for Science, Berlin, Germany
  2. 22 Microsoft Research AI for Science, Cambridge, United Kingdom
  3. 33 Department of Physics, Freie Universität Berlin, Berlin, Germany
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Cite

BibTeXRIS
BibTeX
@article{xie2026enhanced,
  title = {{Enhanced diffusion sampling: Efficient rare event sampling and free energy calculation with diffusion models}},
  author = {Yu Xie and Ludwig Winkler and Lixin Sun and Sarah Lewis and Adam Foster and José Jiménez Luna and Tim Hempel and Michael Gastegger and Yaoyi Chen and Iryna Zaporozhets and Cecilia Clementi and Chris Bishop and Frank Noé},
  journal = {The Journal of Chemical Physics},
  year = {2026},
  month = oct,
  doi = {10.1063/5.0350170},
  url = {https://arxiv.org/abs/2602.16634},
}
RIS
TY  - JOUR
TI  - Enhanced diffusion sampling: Efficient rare event sampling and free energy calculation with diffusion models
AU  - Yu Xie
AU  - Ludwig Winkler
AU  - Lixin Sun
AU  - Sarah Lewis
AU  - Adam Foster
AU  - José Jiménez Luna
AU  - Tim Hempel
AU  - Michael Gastegger
AU  - Yaoyi Chen
AU  - Iryna Zaporozhets
AU  - Cecilia Clementi
AU  - Chris Bishop
AU  - Frank Noé
PY  - 2026
DA  - 2026/10/26
JO  - The Journal of Chemical Physics
DO  - 10.1063/5.0350170
UR  - https://arxiv.org/abs/2602.16634
SN  - 0021-9606
SN  - 1089-7690
SN  - 1520-9032
ER  -