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Nature Computational Science
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January 4, 2024
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model
Chenru Duan, Yuanqi Du, Haojun Jia, et al.
Physical Review. E
|
February 23, 2022
Noise-induced quasiperiod and period switching
Yuxuan Wu, Yuxing Jiao, Yanzhen Zhao, et al.
Scientific Data
|
December 4, 2025
A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials
Taoyong Cui, Yonghong Han, Haojun Jia, et al.
Journal of the American Chemical Society
|
July 3, 2025
Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge and Reasoning Capability of Large Language Models
Jieyu Lu, Zhangde Song, Qiyuan Zhao, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
July 13, 2025
Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models
Qiyuan Zhao, Yunhong Han, Duo Zhang, et al.
Faraday Discussions
|
September 20, 2024
Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes
Ilia Kevlishvili, Roland G St Michel, Aaron G Garrison, et al.
Angewandte Chemie (International Ed. in English)
|
July 29, 2023
Progress and Perspectives on the Development of Pouch-Type Lithium Metal Batteries
Yulin Jie, Chao Tang, Yaolin Xu, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Nature Computational Science
|
January 4, 2024
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model
Chenru Duan, Yuanqi Du, Haojun Jia, et al.
Physical Review. E
|
February 23, 2022
Noise-induced quasiperiod and period switching
Yuxuan Wu, Yuxing Jiao, Yanzhen Zhao, et al.
Scientific Data
|
December 4, 2025
A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials
Taoyong Cui, Yonghong Han, Haojun Jia, et al.
Journal of the American Chemical Society
|
July 3, 2025
Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge and Reasoning Capability of Large Language Models
Jieyu Lu, Zhangde Song, Qiyuan Zhao, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
July 13, 2025
Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models
Qiyuan Zhao, Yunhong Han, Duo Zhang, et al.
Faraday Discussions
|
September 20, 2024
Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes
Ilia Kevlishvili, Roland G St Michel, Aaron G Garrison, et al.
Angewandte Chemie (International Ed. in English)
|
July 29, 2023
Progress and Perspectives on the Development of Pouch-Type Lithium Metal Batteries
Yulin Jie, Chao Tang, Yaolin Xu, et al.
Page
of 1