Laboratórium počítačového modelovania

Kontakt: andrej.antusek@stuba.sk, andrej.dobrotka@stuba.sk

The current research of this department covers following topics:

development and applications of coupled cluster methods
ab initio calculations of metallic clusters properties,
accurate calculations of molecular NMR properties including relativistic and solvent effects,
potential energy surfaces for theoretical infrared spectroscopy, computational atmospheric chemistry,
ab initio modeling of materials interface structure and its impact on the thermodynamic properties of nano-layers,
fast stochastic variability (red noise) of accretion processes in the binary stars and active galactic nuclei,
Monte Carlo simulations of red noise and satellite observation data analysis from KEPLER and XMM-Newton missions.

The problems solved by the department members in the frame of applied research for industry are e. g. development of computer application for numerical modeling of magnetic fields in the high reliability relays (Hengstler/Danaher) and design and optimization of high performance ultra-sound transducers (Kraintek).

The department uses computational resources of HPC cluster of the Slovak University of Technology and Slovak Infrastructure for High Performance Computing.
Partners:

Institute of Astrophysics Kyoto University, Japan; Institute of Organic Chemistry, Polish Academy of Sciences; EMPA, Swiss Federal Laboratories for Materials Science and Technology, Dubendorf, Switzerland; ESAC, European Space Agency, Madrid, Spain; Cadarache, Saint-Paul-lez-Durance, France;

GSMA, Reims University Champagne-Ardenne, Reims, France