Personal profile

Research profile

Konrad Wilke is a doctoral candidate in the Materials Simulation & Modelling (MSM) group in the department of Applied Physics at TU/e. Konrad’s work focuses on the computational modelling of rare events in metal halide perovskites. By using rare event simulations, he aims to elucidate atomic-scale mechanisms that play an important role in degradation and synthesis of metal halide perovskites.


"Hence, our trust in Molecular Dynamics simulation as a tool to study the time evolution of many-body systems is based largely on belief."

- Daan Frenkel, Berend Smit

Academic background

Konrad Wilke received his Masters’s degree in Chemistry from Technical University Dresden (TUD) in 2022. In his Master’s Thesis, he conducted research in the field of rare event sampling with the Replica Exchange Transition Interface Sampling (RETIS) under the supervision of Titus van Erp and Anders Lervik at the Norwegian University of Science and Technology (NTNU) in Trondheim (Norway). He applied RETIS to study solvation dynamics in aqueous phase and developed reaction path evaluation strategies. While continuing collaboration with Titus van Erp, he joined the group of Shuxia Tao (Computational Materials Physics group) at Eindhoven University of Technology (TU/e) in January 2023 as a doctoral candidate. By transferring his experience in rare event sampling to metal halide perovskites, he aims to gain scientific understanding of several crucial processes involved in synthesis and degradation. Additionally, his experience in Python programming is utilized to expand the compatibility of RETIS based methods with common molecular dynamics (MD) software packages like the Amsterdam modelling suite (AMS).

Collaborations and top research areas from the last five years

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