2 papers
physics.chem-ph2025
Machine learning accelerated finite-field simulations for electrochemical interfaces
Chaoqiang Feng, Bin Jiang
Electrochemical interfaces are of fundamental importance in electrocatalysis, batteries, and metal corrosion. Finite-field methods are one of most reliable approaches for modeling…
physics.chem-ph2024
Efficient Sampling for Machine Learning Electron Density and Its Response in Real Space
Chaoqiang Feng, Yaolong Zhang, Bin Jiang
Electron density is a fundamental quantity, which can in principle determine all ground state electronic properties of a given system. Although machine learning (ML) models for ele…