Lukaš Grajciar
RNDr., Ph.D., Assistant Professor
Lukáš Grajciar received his MSc and PhD degrees in chemistry from the Charles University in Prague in 2009 and 2013, respectively, developing and applying dispersion-corrected DFT methods for adsorption in zeolites and metal-organic frameworks. At his postdoctoral position at Jena University in Germany (2013-2016), he become involved in development of high-performance algorithms for ab initio treatment of large molecules and periodic system within the TURBOMOLE program, including implementation of a new tool for global structure optimization of clusters in confinement. Since 2017, he is a researcher at the Charles University in Prague, investigating reactivity of zeolites using biased ab-initio molecular dynamics.
Lukáš Grajciar is an author of 19 publications in international impacted journals with h-index 14.
Highlights of research:
- Reactivity of zeolites using biased ab-initio molecular dynamics
- Development, testing and application of high-performance algorithms for ab initio treatment of large molecules and periodic systems