Adam Matej

Ph.D. in Nanomaterial chemistry with a focus on CompChem for conjugated molecules and materials. My main research deals with reaction mechanisms in On Surface Synthesis. I am currently expanding my expertise toward open-shell systems, namely the connection between structure and electronic structure. Tools I use include Gaussian, Orca, Fireball, Amber, and several graphic, visualization, and analysis programs. Theory-wise, I employ a combination of various methods: molecular mechanics in combination with DFT in QM/MM scheme, various DFT methods, MD simulations with umbrella sampling, and lastly multireference methods for open-shell systems.