Pavol Jozef Šafárik University in Kosice - Faculty of Science

українська
AIS2

Laboratory of computer modelling and simulation

The primary mission of this laboratory is to support both applied and basic research that involves numerically intensive computations and visualization of extremely large data sets as well simulation, modelling and evaluation measured data. The lab provides high-end computing and visualization capabilities to support research on cost-effective and efficient techniques for managing the development of complex, distributed systems. It also facilitates participation in large-scale modeling and simulation exercises. Recently, it is used for following research problems:

  • simulation and modelling processes and structures
  • modelling of catalysts kinetics
  • modelling of catalysts surfaces
  • calculation surface energy of monocrystals and Wulff projection
  • modelling of the processes on membranes

Researchers:

  • Prof.Dr.Andrej Oriňak,PhD.,
  • Prof.Dr.Renáta Oriňaková,DrSc.,
  • Mgr.Natália Podrojková
  • Mgr.Katarína Sisáková
  • Dr.Ján Macko PhD.,

Research infrastructure:

The laboratory exploits Computational and network node and specific software products as VESTA and CrystalMaker.

Selected papers:

  1. Podrojkova, N.; Orinak, A.; Orinakova, R.; et al., Effect of different crystalline phase of ZnO/Cu nanocatalysts on cellulose pyrolysis conversion to specific chemical compounds, CELLULOSE   Volume: 25   Issue: 10   Pages: 5623-5642   Published: OCT 2018
  2. Haverova, Lucia; Orinakova, Renata; Orinak, Andrej; et al., An In Vitro Corrosion Study of Open Cell Iron Structures with PEG Coating for Bone Replacement Applications, METALS   Volume: 8   Issue: 7     Article Number: 499   Published: JUL 2018
  3. Kralova, Zuzana Orsagova; Orinak, Andrej; Orinakova, Renata; et al., Electrochemically deposited silver detection substrate for surface-enhanced Raman spectroscopy cancer diagnostics, JOURNAL OF BIOMEDICAL OPTICS   Volume: 23   Issue: 7     Article Number: 075002   Published: JULY 2018
  4. Petrus, Ondrej; Orinak, Andrej; Orinakova, Renata; et al., Colloidal lithography with electrochemical nickel deposition as a unique method for improved silver decorated nanocavities in SERS applications, APPLIED SURFACE SCIENCE   Volume: 423   Pages: 322-330  
  5. Hovancova, Jana; Sisolakova, Ivana; Orinakova, Renata; et al., Nanomaterial-based electrochemical sensors for detection of glucose and insulin, JOURNAL OF SOLID STATE ELECTROCHEMISTRY   Volume: 21   Issue: 8   Pages: 2147-2166   Published: AUG 2017
  6. Erdelyi, B.; Orinak, A.; Orinakova, R.; et al., Catalytic activity of mono and bimetallic Zn/Cu/MWCNTs catalysts for the thermocatalyzed conversion of methane to hydrogen, APPLIED SURFACE SCIENCE   Volume: 396   Pages: 574-581   Published: FEB 28
  7. Sabalova, Maria; Orinakova, Renata; Orinak, Andrej; et al., Electrocatalytic hydrogen evolution in acidic media using electrodeposited Ag/PPy and Ni/PPy hybrid materials, CHEMICAL PAPERS   Volume: 71   Issue: 2   Pages: 513-523   Published: FEB 2017
  8. Macko, Jan; Orinakova, Renata; Orinak, Andrej; et al., Hydrophobicity of silver surfaces with microparticle geometry, APPLIED SURFACE SCIENCE   Volume: 387   Pages: 1195-1201   Published: NOV 30 2016

Collaborating institutions:

Last update: 26.10.2018