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Peer-reviewedLicence not statedNature Computational Science

NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements

  • Ting Bo Liang1,2
  • Ke Xu1,2
  • Eric Lindgren3
  • Zherui Chen4,5
  • Rui Zhao6
  • Jiahui Liu7
  • Esmée Berger3
  • Benrui Tang1
  • Bohan Zhang1
  • Yanzhou Wang8
  • Keke Song9
  • Penghua Ying10
7 more authors
  • Nan Xu11
  • Haikuan Dong1
  • Shunda Chen12
  • Paul Erhart13,14
  • Zheyong Fan15
  • Tapio Ala-Nissilä16,8
  • Jianbin Xu17
17 affiliations
  1. 1College of Physical Science and Technology, Bohai University, Jinzhou, China
  2. 2Department of Electronic Engineering and Materials Science and Technology Research Center, The Chinese University of Hong Kong, Hong Kong, China
  3. 3Department of Physics and Astronomy, Chalmers University of Technology, Gothenburg, Sweden
  4. 4College of Applied Sciences, Shenzhen University, Shenzhen, China
  5. 5Future Technology School, Shenzhen Technology University, Shenzhen, China
  6. 6School of Mechanical and Electrical Engineering, Xinyu University, Xinyu, China
  7. 7Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing, China
  8. 8MSP group, QTF Centre of Excellence, Department of Applied Physics, Aalto University, Espoo, Finland
  9. 9College of Physics and Information Engineering, Fuzhou University, Fuzhou, China
  10. 10Department of Physical Chemistry, School of Chemistry, Tel Aviv University, Tel Aviv, Israel
  11. 11College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, China
  12. 12Department of Civil and Environmental Engineering, George Washington University, Washington, DC, USA. [email protected]
  13. 13Department of Physics and Astronomy, Chalmers University of Technology, Gothenburg, Sweden. [email protected]
  14. 14Wallenberg Initiative Materials Science for Sustainability, Chalmers University of Technology, Gothenburg, Sweden. [email protected]
  15. 15College of Physical Science and Technology, Bohai University, Jinzhou, China. [email protected]
  16. 16Interdisciplinary Centre for Mathematical Modelling, Department of Mathematical Sciences, Loughborough University, Loughborough, UK
  17. 17Department of Electronic Engineering and Materials Science and Technology Research Center, The Chinese University of Hong Kong, Hong Kong, China. [email protected]
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Cite

BibTeXRIS
BibTeX
@article{liang2026nep89,
  title = {{NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements}},
  author = {Ting Bo Liang and Ke Xu and Eric Lindgren and Zherui Chen and Rui Zhao and Jiahui Liu and Esmée Berger and Benrui Tang and Bohan Zhang and Yanzhou Wang and Keke Song and Penghua Ying and Nan Xu and Haikuan Dong and Shunda Chen and Paul Erhart and Zheyong Fan and Tapio Ala-Nissilä and Jianbin Xu},
  journal = {Nature Computational Science},
  year = {2026},
  month = jul,
  doi = {10.1038/s43588-026-01009-6},
  url = {https://doi.org/10.21203/rs.3.rs-7058411/v1},
}
RIS
TY  - JOUR
TI  - NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements
AU  - Ting Bo Liang
AU  - Ke Xu
AU  - Eric Lindgren
AU  - Zherui Chen
AU  - Rui Zhao
AU  - Jiahui Liu
AU  - Esmée Berger
AU  - Benrui Tang
AU  - Bohan Zhang
AU  - Yanzhou Wang
AU  - Keke Song
AU  - Penghua Ying
AU  - Nan Xu
AU  - Haikuan Dong
AU  - Shunda Chen
AU  - Paul Erhart
AU  - Zheyong Fan
AU  - Tapio Ala-Nissilä
AU  - Jianbin Xu
PY  - 2026
DA  - 2026/07/08
JO  - Nature Computational Science
DO  - 10.1038/s43588-026-01009-6
UR  - https://doi.org/10.21203/rs.3.rs-7058411/v1
SN  - 2662-8457
ER  -