Molecular Transport Group

Electronic and conducting properties of molecular nanojunctions


We are an independent research group at the Institute of Physics. The Institute is a public research center of the Czech Academy of Sciences.

We study the electronic, structural and conducting properties of molecules at surfaces and interfaces. Our main research focus is the theoretical description of single molecule transport. We often collaborate with experimental partners.

We mainly use first-principles methods based on DFT and Non-Equilibrium Green's Functions. A key goal in our work is the development of new methodologies.