molecular dynamics

Welcome to the Quantum-Classical Molecular Dynamics (QCMD) home page. The research activities focus on molecular dynamics simulations of light-driven processes, from small molecules to nano-systems. The computational models are based on quantum and classical dynamics, or typically a combination thereof.

This page is mainly by PD Dr. Burkhard Schmidt who used to work within the Scientific Computing Activities at Freie Universität Berlin in Germany. In October 2022, he moved to the Weierstraß-Institute, now mainly working on the MaRDI project.

See also our press releases.