Author

Kai Zhang

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Open access Sep 2026

Active Learning-Guided Optimization of Moisture Swing Adsorption for Direct Air Capture

Moisture swing adsorption (MSA) offers an energy-efficient route for direct air capture of CO2 by exploiting humidity-driven sorbent regeneration, yet its performance remains difficult to predict due to the coupled effects of sorbent chemistry, counterion properties, and operating conditions. Here, we present a data-...

Pei-Ling Yu, Kai Zhang, Xiao-Yang Shi et al. · Environmental Science &... · 0 citations

Review Open access Aug 2026

How to Build Machine-Learning Models for Molecular Science: A Step-by-Step, Annotated Tutorial

This tutorial provides a comprehensive, end-to-end workflow from raw data to deployed models,icitly designed for environmental chemists with limited prior experience in ML modeling while also providing practical guidance for other users seeking to strengthen their modeling workflows.

Kai Zhang, Yu-Shu Cheng, Hai-Ping Ai et al. · ACS Environmental Au · 0 citations