Bremen Center for Computational Materials Science

  • Schematic figure showing charge dynamics on hybrid interfaces

    Lichtangeregte Elektrondynamik

    an einem Hybridinterface

  • Schematic figure showing spin-light interaction

    Spin-Licht-Wechselwirkung

    in magnetischen 2D-Materialien

The Bremen Center for Computational Materials Science (BCCMS) is an interdisciplinary research center of the science and engineering faculties at the University of Bremen (UB). The major research focus is related to fundamental and applied topics in Computational Materials Science.

By using state-of-the art multiscale methods ranging from atomistic quantum mechanics over coarse-graining approaches up to micro- and macroscopic continuum theory, we particularly deal with problems related to the structural design of complex materials in order to develop novel functional materials and devices in close cooperation with experimental and industrial partners.

Implementation of the Marangoni effect in an open-source software environment and the influence of surface tension modeling in the mushy region in laser powder bed fusion (LPBF)

Florian Wirth, Teresa Tonn, Markus Schöberl, Stefan Hermann, Hannes Birkhofer and Vasily Ploshikhin

Modelling Simul. Mater. Sci. Eng. 30, 034001 (2022)

Tangential surface tension forces on a gas–liquid interface due to surface tension gradients have been implemented in the computational fluid…


TOC picture of the publication

Density functional tight binding approach utilized to study X-ray-induced transitions in solid materials

Vladimir Lipp, Victor Tkachenko, Michal Stransky, Bálint Aradi, Thomas Frauenheim & Beata Ziaja

Scientific Reports 12, 1551 (2022)

Intense X-ray pulses from free-electron lasers can trigger ultrafast electronic, structural and magnetic transitions in solid materials, within a material volume which…


TOC picture of the publication

Elucidating the Germanium Distribution in ITQ-13 Zeolites by Density Functional Theory

Michael Fischer, Carlos Bornes, Luís Mafra, João Rocha

Chem.Eur. J. 28, e2021042 (2022)

ITQ-13 is a medium-pore zeolite that can be prepared in all-silica form and as silicogermanate with Si/Ge ratios as low as 3. Usually synthesised in the presence of fluoride, ITQ-13 is among the very few…


CECAM/Psi-k DFTB+ School

CECAM/Psi-k DFTB+ School in Daresbury (UK), June 6-11, 2022


BCCMS Event - Spring 2022

Modelling of Surfaces and Interfaces - Challenges and new perspectives


BCCMS Event - Winter 2022

Additive Manufacturing (3D Printing) in the Bremen Research Landscape