Ivan Štich
Prof. Ivan Štich works at the Institute of Physics of the Slovak Academy of Sciences where he focuses mainly on computer modeling of the electronic structure of solids. He is the author of the first parallel codes and new computational methods of electronic structure. At present, he focuses mainly on 2D materials and their modeling using quantum Monte Carlo methods, which he develops at the European Center of Excellence for Exascale Computing, TREX.
Sign in to Spring ITAPA 2024
-
Modeling of 2D semiconductors using methods of exascale computing | Medzinárodný kongres ITAPA 2021: Ako sa stať najlepším?
Two-dimensional (2D) materials, having a single-atom thickness, have already revolutionized science, and have the potential to revolutionize technology due to their unique electronic, optical, thermal, spin, and magnetic properties. Nobel prize was awarded in 2010 to Geim and Novoselov for 2D materials. Using 2D phosphorene, the presentation will demonstrate modeling of electronic properties using ultra-accurate stochastic Quantum Monte Carlo methods. These methods are among the few in this field suitable for exascale computing.
Exascale supercomputers and exascale computing are likely fuzzy categories for a common man, as are electronic materials we are using in our daily lives. The presentation will in a simple way introduce modeling of properties of one particular perspective material (2D phosphorene) using quantum Monte Carlo methods which are predestined for exascale supercomputers and show results of such a modeling on pre-exascale supercomputers which required about 30 million corehours.
