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February 20, 2024
Beyond MD17: the reactive xxMD dataset
Zihan Pengmei, Junyu Liu, Yinan Shu
Journal of Chemical Theory and Computation
|
April 22, 2026
New Framework for Multi-Electronic-State Dynamics and Its Validation for Photoisomerization of 1,3-Cyclohexadiene
Yinan Shu, Zhaowei Shang, Zihan Pengmei, et al.
Arxiv
|
January 13, 2025
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
Zihan Pengmei, Chatipat Lorpaiboon, Spencer C Guo, et al.
The Journal of Chemical Physics
|
January 28, 2025
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
Zihan Pengmei, Chatipat Lorpaiboon, Spencer C Guo, et al.
Angewandte Chemie (International Ed. in English)
|
August 26, 2022
Light-Driven Hydrodefluorination of Electron-Rich Aryl Fluorides by an Anionic Rhodium-Gallium Photoredox Catalyst
James T Moore, Michael J Dorantes, Zihan Pengmei, et al.
Journal of the American Chemical Society
|
September 12, 2022
Sulfated Zirconium Metal-Organic Frameworks as Well-Defined Supports for Enhancing Organometallic Catalysis
Zoha H Syed, Mohammad Rasel Mian, Roshan Patel, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Scientific Data
|
February 20, 2024
Beyond MD17: the reactive xxMD dataset
Zihan Pengmei, Junyu Liu, Yinan Shu
Journal of Chemical Theory and Computation
|
April 22, 2026
New Framework for Multi-Electronic-State Dynamics and Its Validation for Photoisomerization of 1,3-Cyclohexadiene
Yinan Shu, Zhaowei Shang, Zihan Pengmei, et al.
Arxiv
|
January 13, 2025
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
Zihan Pengmei, Chatipat Lorpaiboon, Spencer C Guo, et al.
The Journal of Chemical Physics
|
January 28, 2025
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
Zihan Pengmei, Chatipat Lorpaiboon, Spencer C Guo, et al.
Angewandte Chemie (International Ed. in English)
|
August 26, 2022
Light-Driven Hydrodefluorination of Electron-Rich Aryl Fluorides by an Anionic Rhodium-Gallium Photoredox Catalyst
James T Moore, Michael J Dorantes, Zihan Pengmei, et al.
Journal of the American Chemical Society
|
September 12, 2022
Sulfated Zirconium Metal-Organic Frameworks as Well-Defined Supports for Enhancing Organometallic Catalysis
Zoha H Syed, Mohammad Rasel Mian, Roshan Patel, et al.
Page
of 1