Lukaš Grajciar

RNDr., Ph.D., Researcher

Lukaš Grajciar

Email: lukas.grajciar@natur.cuni.cz
Room number: 230

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