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
Journal of the American Chemical Society 145, 20073 (2023)
Polymer vesicles with integrated photothermal responsiveness
Digital Discovery 2, 1016 (2023)
Discovery of lead quinone cathode materials for Li-ion batteries
Virtual screening of organic quinones as cathode materials for sodium-ion batteries
RedDB, a computational database of electroactive molecules for aqueous redox flow batteries