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


    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.

Table of content figure

Machine learning based approach for solving atomic structures of nanomaterials combining pair distribution functions with density functional theory

Magnus Kløve, Sanna Sommer, Bo B. Iversen, Bjørk Hammer and Wilke Dononelli

Adv. Mater. 2023, 2208220

Determination of crystal structures of nanocrystalline or amorphous compounds is a great challenge in solid states chemistry and physics. Pair distribution function (PDF) analysis of X-Ray or…

Numerical simulation of shrinkage and deformation during sintering in metal binder jetting with experimental validation

Shahrooz Sadeghi Borujeni, Anwar Shad, Kiranmayi Abburi Venkata, Nico Günther, Vasily Ploshikhin

Materials and Design 216(5):110490 (2022)

Sintering, as a post-processing step in metal binder jetting (MBJ), often results in distortion. Numerical simulations can predict sintering distortion and…

Moiré-Bose-Hubbard model for interlayer excitons in twisted transition metal dichalcogenide heterostructures

Niclas Götting, Frederik Lohof, and Christopher Gies

Phys. Rev. B 105, 165419 (2022)

In bilayers of semiconducting transition metal dichalcogenides, the twist angle between layers can be used to introduce a highly regular periodic potential modulation on a length scale that is large compared to…

More than €500,000 for AI Research with Quantum Systems

Machine learning and artificial-intelligence (AI) methods are now used in many areas of life. Two projects at the university’s Institut für Theoretische Physik are researching machine learning with quantum systems and quantum photonics. They are now receiving more than €500,000 in funding.


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