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6 (0,156s)

Project

Quantum chemistry investigation of inorganic crystalline micro- and mesoporous catalytic systems (IAA400400812)

employing a periodic DFT approach (VASP) or embedding (QM-Pot) approach represent...

CF - Fyzikální chemie a teoretická chemie

  • 2008 - 2012
  • 7 319 tis. Kč
  • 7 319 tis. Kč
  • AV ČR
Project

Modelling of the electron energy loss spectra of molecules adsorbed on surfaces by use of the DMR method (GA202/08/0631)

will be described by the existing and well-established methods and codes as VASP and WIEN2k...

CF - Fyzikální chemie a teoretická chemie

  • 2008 - 2010
  • 1 902 tis. Kč
  • 1 902 tis. Kč
  • GA ČR
Project

Modelling of electron collisions with molecules adsorbed on surfaces (GAP208/11/0452)

of surfaces and clusters, such as VASP or WIEN2k....

CF - Fyzikální chemie a teoretická chemie

  • 2011 - 2015
  • 5 290 tis. Kč
  • 5 290 tis. Kč
  • GA ČR
Project

Severe plastic deformation, a tool to create thermo-electric materials with high conversion efficiency (8J21AT015)

with ab initio calculations by the VASP code (Brno) - TE properties tuning...

Condensed matter physics (including formerly solid state physics, supercond.)

  • 2021 - 2022
  • 120 tis. Kč
  • 120 tis. Kč
  • MŠMT
Project

Spinodal Decomposition in Half-Heusler Alloys A nanostructuring route towards high efficiency thermoelectric materials (7AMB15AT002)

experience with ab initio calculations by the VASP code. In the Institut für...

BJ - Termodynamika

  • 2015 - 2016
  • 126 tis. Kč
  • 126 tis. Kč
  • MŠMT
Project

High entropy Half-Heusler thermoelectric materials with high efficiency (8J19AT011)

calculations by the VASP code. In the Institut für Festkörperphysik, TU Wien equipment...

Condensed matter physics (including formerly solid state physics, supercond.)

  • 2019 - 2021
  • 120 tis. Kč
  • 120 tis. Kč
  • MŠMT
  • 1 - 6 out of 6