Published September 7, 2022
| public
Journal Article
New Stable and Fast Ring-Polymer Molecular Dynamics for Calculating Bimolecular Rate Coefficients with an Example of OH + CH₄
- Creators
- Gui, Xiongfei
- Fan, Wenbin
- Sun, Jiace
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Li, Yongle
Additional Information
This work was supported by the National Nature Science Foundation of China (No. 22173057), the research grant (No. 21JC1402700) from Science and Technology Commission of Shanghai Municipality, and the Key Research Project of Zhejiang Laboratory (No. 2021PE0AC02). We appreciate the High Performance Computing Center "Ziqiang 4000" of Shanghai University. We also gratefully acknowledge HZWTECH for providing computation facilities. The authors thank Jun Li in Chongqing University for providing a high-fidelity PIP-NN PES program. The authors also thank helpful discussions from Thomas F. Miller III in the California Institute of Technology and Hua Guo in University of New Mexico.Additional details
- Eprint ID
- 116691
- Resolver ID
- CaltechAUTHORS:20220901-156772000
- 21JC1402700
- Science and Technology Commission of Shanghai Municipality
- 22173057
- National Natural Science Foundation of China
- 2021PE0AC02
- Key Research Project of Zhejiang Laboratory
- High Performance Computing Center "Ziqiang 4000" of Shanghai University
- HZWTECH
- Created
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2022-09-07Created from EPrint's datestamp field
- Updated
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2022-09-07Created from EPrint's last_modified field