News

Defects in perovskites: 2D vs 3D

In ACS Energy Letters, Haibo studied the thermodynamics of defects in 2D perovskites and found defects are more difficult to form but potentially more harmful.

Website update (finally!).

The CMPG website is now undergoing a major update after two years! Do come back for a complete new look within 1-2 weeks.

Machine learning for defects

Mike and Victor show how machine learning helps creating force fields with ab-initio accuracy to describe defect dynamics in perovskites.

Refined DFTB for perovskites

Sander defended his Master thesis on the refinement of DFTB parameters for studying phase stability of halide perovskites and received a grade of 9.5!

Reactive force field

Mike defended his master thesis on reactive force field MD simulations of perovskites and the work is published on J. Phys. Chem. Lett.