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
Artificial Intelligence Chemistry 2, 100064 (2024)
RedPred, a machine learning model for the prediction of redox reaction energies of the aqueous organic electrolytes
Data-driven discovery of intrinsic direct-gap 2D photocatalysts for overall water splitting
Energy & Environmental Science 17, 173 (2024)
Towards the 4 V-class n-type organic lithium-ion positive electrode materials: the case of conjugated triflimides and cyanamides