Insights into the Proton Adsorption on Single-Atom Catalysts using a new Electrostatic Decomposition Model

Meet SCM at SEMICON West 2025!

Accurate Binding and Band Gaps at low computational cost with a non-empirical Meta-GGA

Theoretical calculations reveal origin of violet-blue emission in semiconducting 2D hybrid perovskite

Improving Hydrogen Evolution by Mn Doping MoS2 Nanosheets: DFT QTAIM analysis

The right band gaps for the right reason at low computational cost with a Meta-GGA

Covalent functionalization of graphene sheets for plasmid DNA delivery

Gas sensing properties of Fe-decorated monolayer Antimonene

Work functions at interfaces with BAND (video tip of the week, new tutorial)

Much faster vibrational spectra with Mode Refinement (video tip of the week)