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About CMS

Recognizing that the computational approach to answer fundamental questions in life science and design new functional materials is expected to become just as important as experiments in future, University of Bremen has given high strategic priority to the enhanced investment in the necessary computational infrastructure, by founding Bremer Center for Computational Materials Science – BCCMS in April 2006 as interdisciplinary research center of the science and engineering faculties at the University of Bremen.

The Computational Materials Science - CMS-Group headed by Thomas Frauenheim at the Faculty of Physics has strong record in developing and application of electronic structure based methods ranging from ab initio quantum theory towards approximate density functional schemes with the major interest to perform chemically reactive studies on nanomaterials, biosystems and complex surfaces/interfaces. As major label of the group, the DFTB-method and the related DFTB+-software recently has been announced for academic research to the world wide user community, see http://www.dftb-plus.info

International Collaborations

The CMS-Group has international collaborations with leading scientists all over the world.

Research Topics

Proton Transport in Material for Fuel Cell application

Proton Transport in Material for Fuel Cell application

The project "functionalized nanohybrides for electrochemical application" ( part of DFG Priority Program SPP1181 ) mainly focuses on proton transport in material for fuel cell application. We investigate the development of new inorganic particles functionalized with proton conducting groups. [more...]

Further research topics are:

  • Quantum and atomistic simulations, coarse-graining approaches, micro- and macroscopic continuum theor
  • Structural design of complex materials in order to develop novel functional materials and devices
  • Electronic structure methods
  • Ab initio quantum theory
  • Approximate density functional schemes
  • Nanomaterials, biosystems and complex surfaces/interfaces
  • DFTB-method and the related DFTB+-Software