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

Capturing Condensable Gases with Ionic Liquids

Large-Scale spin-orbit coupled GW-Bethe-Salpeter equation calculations in AMS

Multi-Time Scale Simulation: How do Polyoxometalates Form?

Analytical Excited State Gradients for Time-dependent Density-functional Theory plus Tight-binding (TDDFT+TB)

Calculation of electric field gradients in Cd (II) complexes

Covalent functionalization of graphene sheets for plasmid DNA delivery

Reductive Coupling of Nitric Oxide by Cu(I)

Photonically active bowtie nanoassemblies with chirality continuum

Electronic structure and magneto-structural correlation study of Cu2UL