Head of the Group

Dr. rer. nat. Matthias Stein, M.Sc.
Dr. rer. nat. Matthias Stein, M.Sc.
Phone: +49 391 6110 436
Fax: +49 391 6110 403
Room: S1.17

Most recent publication

Buchholz, H. K.; Stein, M.: Accurate Lattice Energies of Organic Molecular Crystals from Periodic Turbomole Calculations. Journal of Computational Chemistry (accepted)


PhD positions and PostDoc positions available.

Please contact Dr. Matthias Stein.

Molecular Simulations and Design

Molecular Simulations and Design

The Molecular Simulations and Design group is a newly established research group at the Max-Planck-Institute for Dynamics of Complex Technical Systems in Magdeburg.

As such, we are in close contact with experimental groups at the MPI in Magdeburg but also with other national and international collaboration partners.

We are using and developing tools and algorithms from

  • Quantum mechanics
  • QM/MM hybrid simulations
  • Molecular dynamics
  • Brownian dynamics
  • Bioinformatics
  • Protein structural modeling.
The simulations allow us to rationalize experimental results at a molecular level. Such detailed insight is often inaccessible by other means.
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