Lukáš Grajciar is a Principal Investigator and the head of the group of Nanomaterials Modelling at Charles Universityat Charles University in Prague, Czech Republic. He has an extensive background in modelling of nanoporous materials with a focus on zeolites and metal-organic frameworks. In addition, during his postdoctoral stay (2013-2016) at the University of Jena (with Prof. Marek Sierka) he gained experience in the development and implementation of high-performance algorithms (linear scaling and low-memory periodic DFT implementations as well as global structure optimisation tools). Recently, he focused on modelling the stability of zeolites using (biased) AIMD simulations and leveraging machine learning to accelerate simulations of zeolitic systems under operando conditions.