Here we highlight events relevant to computational method development and energy research.

  • Atomistic and Molecular Simulation (AMS) study group, organized by the PI and open to junior researchers at all levels across several departments of TU/e and DIFFER
  • CCER seminar for a wider range of computational approaches
  • Physics Colloquium for research topics in Physics
  • DIFFER seminars for research topics in Energy Technologies



Welcome to Jose Manuel Vicent Luna

Jose Manuel Vicent Luna (Vicent) joined us as a postdoctoral researcher. With his strong expertise in force field development and Molecule Dynamics simulations, he will work on the development of a multi-scale approach for large scale simulations of metal halide perovskites.

A warm welcome to Sofia Apergi

Sofia Apergi joined our group as a PhD candidate. She will combine her background in both Mathematics and Condensed Matter Physics to develop DFTB method for studying defects physics of complex perovskite compounds.

Small ions plus large ions

Haibo Xue proves that several smaller ions make room for a large one in perovskite lattices.

Shuxia as Guest Editor for solar cell materials@PLOS ONE

As one of the six international experts in the area of solar cell materials, Shuxia Tao has been invited as a guest editor at open access journal PLOS ONE. The focus collection is ‘Photovoltaic Solar Cell Materials: Design, Fabrication and Testing’.

IAAM Young Scientist Medal of 2019 for Shuxia Tao

Shuxia has been awarded pretigious IAAM young scientist medal of 2019 at 27th European Advanced Materials Congress, August, 11-14, Sweden. She delivered an IAAM award lecture and chaired the session 'Computational Materials & Modelling'.

Welcome to Mike Pols

Mike Pols joined our group as a student research assistant. With strong background in both Physics and Chemistry from TU/e, he will be exploring a new research direction of 'atom-thin 2D materials in perovskite solar cells'. Welcome, Mike!

Our EU proposal SCALEUP is approved

Our EU proposal SCALEUP, a collaboration of five Principal Investigator from five countries (Spain, Germany, Switzerland, Isreal and the Netherlands) on perovskite solar cells was approved.

The absolute energy levels

The absolute energy levels of 18 metal halide perovskites published on Nature Communications.

Welcome to our new website

The Computational Materials Physics Group has launched their new website: