The Computational Materials and Photonics Group conducts theoretical investigations and the computational modeling of novel materials, their physical properties, and devices from the molecular level to the nanoscale.
Based on quantum and classical theory, we investigate materials and nanostructures’ photonic, plasmonic, electronic, and mechanical properties. The current applications include optoelectronic and optomechanical sensing, photovoltaics, thermoelectrics, and catalysis.
News
New preprint: CO2 activation over pristine and Cu-decorated carbon-based two-dimensional materials
ChemRxiv preprint: CO2 activation on pristine and Cu-decorated ψ-graphene and its hydrogenated forms: A DFT(D)+ U Study …Dr. Anup Shrivastava joined the team in Kassel
On May 1, 2024, after two years of being a visiting researcher at CMP, Dr. Anup Shrivastava joined the team in Kassel as…