Benchmarking Foundation Potentials against Quantum Chemistry Methods for Predicting Molecular Redox Potentials

Yicheng Chen, Peichen Zhong

Submission Type: I want my submission to be considered for both oral and poster presentation.

Keywords: Machine Learning Interatomic Potential, Redox Potential, Proton-Coupled Electron Transfer, Carbon Capture, High-Throughput Screening

Confirmation Of Submission Requirements: I submit a previously published paper. It was published in an archival peer–reviewed venue on or after September 1st 2025, I specify the DOI in the field below, and I submit the camera-ready version of the paper.

DOI: https://doi.org/10.1021/prechem.5c00258

Submission Number: 334