The Advances in PV Materials Modelling webinar took place on 10 October 2022, bringing together leading figures in applying techniques such as Density Functional TheoryMolecular Dynamics and Machine Learning to PV materials to predict and explain their observed behaviour and characteristics, giving valuable insight into their approaches and techniques.

The recording of the webinar is available to view here

Chaired by Prof. Roger Smith (Loughborough University), the webinar programme was as follows.

  • Prof. David Scanlon (University College London) “Computational discovery of optimal dopants for high performance TCOs”
  • Dr. Pooja Goddard (Loughborough University) “Chlorine: the Magic Ingredient in CdTe solar cell production”
  • Dr. Nourdine Zibouche (University of Bath) “Understanding degradation mechanisms and ion conductivity in metal-halide perovskites”
  • Dr. Zhenzhu Li  (Imperial College London) “Metal halide perovskite polytypes: energetics and electronics”
  • Dr Peter Hatton (Los Alamos National Laboratory) “Atomistic modelling of inert gas bubble growth in magnetron sputtered thin film CdTe”