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; under embargo)
Bi-metallic catalyst discovery for hydrogen evolution reaction through machine learning-enhanced atomic simulation
The Journal of Physical Chemistry Letters 15, 4983 (2024)
ML-aided computational screening of 2D materials for photocatalytic water splitting