MARVEL seminar: "Charge localization, dynamics, and phase transitions in halide perovskites" (Julia Wiktor)

Practical details:

• In-person participation: room MED 2 1124 (Coviz2), EPFL
• Remote participation: Zoom link
  

Charge localization, dynamics, and phase transitions in halide perovskites

Julia Wiktor

Chalmers University of Technology, Sweden

Halide perovskites have emerged as key materials in optoelectronic applications, where both their electronic and dynamical properties significantly influence device performance. In this seminar, I will explore two complementary aspects of these materials: charge localization, with a focus on polaron formation modeled using non-empirical hybrid functionals, and the dynamical behavior of perovskite phases, investigated through molecular dynamics simulations with machine learning potentials. By linking insights from electronic structure modeling to phase transitions and dynamical effects, I will try to provide a comprehensive perspective on how computational approaches can contribute to understanding the behavior of these complex materials and help in improving perovskite-based technologies.

About the speaker

Julia Wiktor is an Associate Professor at Chalmers, Sweden. She earned M.Sc. degrees in Materials Engineering from Grenoble INP in France and in Applied Physics from Gdansk Technical University in Poland. She carried out her PhD studies at CEA Cadarache, France, focusing on nuclear materials, and was awarded her doctorate by Aix-Marseille University in 2015. Following her PhD, she moved to EPFL for a postdoctoral stay focusing on solar materials. Since 2019, she has been leading a group at Chalmers. Her main scientific interests are novel photoabsorbing materials for solar devices. She specializes in using advanced electronic structure methods to explore how atomic-scale phenomena impact the efficiency of these devices.