Molecular modelling research group

Computational Chemistry / Quantum Chemistry

Field of operations: Computer-assisted design of functional molecular materials; quantum chemical modeling of excited-state properties and dynamics

Specific topics of interest: Excited-state engineering for optoelectronic applications; spin-orbit coupling and intersystem crossing in organometallic complexes; thermally activated delayed fluorescence (TADF); luminescent materials for sensing and display technologies

Group leader: Mikko Linnolahti