Accelerating Computation of Acidity Constants and Redox Potentials for Aqueous Organic Redox Flow Batteries by Machine Learning Potential-Based Molecular Dynamics
Authors: Feng Wang, Zebing Ma, and Jun Cheng**
Link: https://pubs.acs.org/doi/10.1021/jacs.4c01221
Address:College of Chemistry and Chemical Engineering, Xiamen University, Fujian Province Zipcode:361005 Tel:0592-2186405 E-mail:chem-xmu@xmu.edu.cn Copyright © College of Chemistry and Chemical Engineering 2023 All Rights Reserved