ACS Catalysis 15, 19461 (2025)
Machine Learning–Accelerated Discovery of Earth-Abundant Bimetallic Electrocatalysts for the Hydrogen Evolution Reaction
Digital Discovery 4, 1844 (2025)
RedCat, an Automated Discovery Workflow for Aqueous Organic Electrolytes
Nature Communications 16, 2445 (2025)
Designing polymersomes with surface-integrated nanoparticles through hierarchical phase separation
Physical Review Materials 9, 025802 (2025)
Two-dimensional TiNBr as photocatalyst for overall water splitting
Chemistry-Methods 5, e202400005 (2025)
ChemPrice, a Python package for automated chemical price search
Advanced Energy Materials, 2401658 (2024)
Computational and machine learning-assisted discovery and experimental validation of conjugated sulfonamide cathodes for lithium-ion batteries
PhD Thesis, Yatong Wang (2024)
Data-driven discovery of 2D materials as photocatalysts for water splitting
Bachelor’s Final Project, Marco Brunacci (2024)
Bi-metallic catalyst discovery for hydrogen evolution reaction through machine learning-enhanced atomic simulation