Mike is nominated as best teaching assistant

Mike is nominated as best teachers at our department of Applied Physics for his role as Teaching Assistant for our master course “Computational Materials Science”. The selection are made by our students and is organized by student association STOOR. Congratulations,...
Refined DFTB for perovskites

Refined DFTB for perovskites

After 1 year’s hard work, Sander has successfully defended his Master thesis on the 14 of September and received mark of 9.5! Very well done and Congratulations, Sander.   During this project, Sander worked on the refinement of  DFTB method for large scale...

Vicent published first paper on DFTB method for halide perovskites

On Journal of Chemical Information and Modelling, Vicent recently show DFTB method, in particular GFN1-x originally developed by Grimme et al , is very promising in predicting the the structures and electronic properties of halide perovskites. The method perfectly...