molecular dynamics

Welcome to the Quantum-Classical Molecular Dynamics (QCMD) home page by PD Dr. Burkhard Schmidt working in the group headed by Prof. Dr. Rupert Klein, within the Scientific Computing Activities at Freie Universität Berlin in Germany. Research activities focus on molecular dynamics simulations of light-driven processes, from small molecules to nano-systems. Computational models are based on classical and quantum dynamics, or typically a combination thereof.