An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery
Journal of Energy Chemistry (2020)
Surface charging activated mechanism change: A computational study of O, CO, and CO2interactions on Ag electrodes
Nature Scientific Data 6, 143 (2019)
AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds
International Journal of Hydrogen Energy 44, 16803 (2019)
Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study
Analysis of DFT calculated reaction energies for CO bonding and dissociation on metal all oy surfaces.
Analysis of DFT calculated reaction energies for H2 dissociation on metal alloy surfaces