Modeling the 32 Electron Rule for Heavy Element Compounds

Lithium – Ammonia solution modeled at the molecular level

A coupled TDDFT – atomistic electrodynamics model to study excitations in adsorbate-nanoparticle systems

Recent advances in Frozen-Density Embedding: State-Selective Excitations, Charge Transfer, Spin Densities

Bonding in Dinuclear Metalloradicals

Characterization of an Atom-Precise Bimetallic Nanocluster