An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery
Surface charging activated mechanism change: A computational study of O, CO, and CO2interactions on Ag electrodes
AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds
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