The group develops multiscale models, ranging from electronic level to macroscale to study engineering materials, such as steels, shape memory alloys, Zr-, Ti- and Ni-based alloys. The group specializes in different modelling approaches, such as Molecular dynamics, Phase-field, Thermokinetic and Finite element modelling. The group collaborates with renowned theoretical physicists and materials scientists in USA and Europe in the areas of condensed matter physics, Density Functional Theory and microstructural characterization.


Research areas

  • Computational materials science
  • Multiscale materials modelling
  • Structural materials
  • Smart materials
  • Materials for clean energy generation as well as storage and distribution
  • Materials for energy conversion machinery.


The group has access to various modelling software's, e.g. LAMMPS, femLego, MOOSE, Matlab, Maple, ANSYS and high performance computational resources.

The group will very soon acquire an EBSD equipment for advanced microstructural characterization.


Group members

Jiayi Chen (PhD Student)


See also