CaltechAUTHORS
Published September 7, 2022 | Version public
Journal Article Metadata-only

New Stable and Fast Ring-Polymer Molecular Dynamics for Calculating Bimolecular Rate Coefficients with an Example of OH + CH₄

Creators

  • 1. ROR icon Shanghai University
  • 2. ROR icon Fudan University
  • 3. ROR icon California Institute of Technology

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

Identifiers

Eprint ID
116691
Resolver ID
CaltechAUTHORS:20220901-156772000

Funding

Science and Technology Commission of Shanghai Municipality
21JC1402700
National Natural Science Foundation of China
22173057
Key Research Project of Zhejiang Laboratory
2021PE0AC02
High Performance Computing Center "Ziqiang 4000" of Shanghai University
HZWTECH

Dates

Created
2022-09-07
Created from EPrint's datestamp field
Updated
2022-09-07
Created from EPrint's last_modified field