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Journal of Chemical Theory and Computation
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June 25, 2026
Machine-Learned Leftmost Hessian Eigenvectors for Robust Transition State Finding
Guanchen Wu, Eric C-Y Yuan, Kareem Hegazy, et al.
Nature Communications
|
October 14, 2024
Analytical ab initio hessian from a deep learning potential for transition state optimization
Eric C-Y Yuan, Anup Kumar, Xingyi Guan, et al.
Nature Reviews. Chemistry
|
February 11, 2026
Foundation models for atomistic simulation of chemistry and materials
Eric C-Y Yuan, Yunsheng Liu, Junmin Chen, et al.
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of 1
Search research articles
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Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
June 25, 2026
Machine-Learned Leftmost Hessian Eigenvectors for Robust Transition State Finding
Guanchen Wu, Eric C-Y Yuan, Kareem Hegazy, et al.
Nature Communications
|
October 14, 2024
Analytical ab initio hessian from a deep learning potential for transition state optimization
Eric C-Y Yuan, Anup Kumar, Xingyi Guan, et al.
Nature Reviews. Chemistry
|
February 11, 2026
Foundation models for atomistic simulation of chemistry and materials
Eric C-Y Yuan, Yunsheng Liu, Junmin Chen, et al.
Page
of 1