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2 073 (0,141s) •

Project

A European Laboratory for Multireference Quantum Chemical Methods (OC D23.001)

Development of multireference quantum chemical methods for accurate calculations of polyatomic molecules, their spectroscopic properties and chemical reactivity......

CF - Fyzikální chemie a teoretická chemie

  • 2001 - 2005
    • •
  • 2 155 tis. Kč
    • •
  • 2 155 tis. Kč
    • •
  • MŠMT
Project

Quantum chemistry on quantum computers (GA203/08/0626)

The aim of this project is to develop methods for theoretical chemistry calculations on quantum computers. The exact solution of Schroedinger equation for a molecule within a finite basis set, i.e. full CI, has on a classical comput...

CF - Fyzikální chemie a teoretická chemie

  • 2008 - 2012
    • •
  • 1 896 tis. Kč
    • •
  • 1 896 tis. Kč
    • •
  • GA ČR
Project

Application of algebraic methods in quantum mechanical calculations of atomic spectra (GP202/05/P075)

In the suggested project the algebraic methods into the quantum mechanical calculations of the atomic spectra will be introduced and further applied. Recently, the scientific group on KCHFO MFF UK developed an algebraic method for t...

BE - Teoretická fyzika

  • 2005 - 2007
    • •
  • 831 tis. Kč
    • •
  • 831 tis. Kč
    • •
  • GA ČR
Project

Application of Quantum Information in Cryptology - Quantum Theory of Information (SU19982003011)

Quantum computing is based on the physical quantum-mechanical principle of superposition and coherence which enable the great amount of parallel calculations to be made simultaneously. Quantum physics enables that ...

BD - Teorie informace

  • 1998 - 2003
    • •
  • 1 290 tis. Kč
    • •
  • 1 030 tis. Kč
    • •
  • MŠMT
Project

Geometric algebra in RQI (LUC25028)

). This approach allows simulating and testing complex quantum calculations on classical for verifying calculations on physical quantum computers. The project also includes significantly simplify the description of...

Pure mathematics

  • 2025 - 2028
    • •
  • 5 982 tis. Kč
    • •
  • 5 982 tis. Kč
    • •
  • MŠMT
Project

Hydrogen bonds and nuclear quantum delocalisation studied by NMR spectroscopy and theoretical calculations (GA15-11223S)

and nuclear quantum delocalisation, particularly of hydrogen atoms, with the emphasis will employ path integral molecular dynamics simulations comprising the nuclear quantum effects. The calculated probability distribution...

CF - Fyzikální chemie a teoretická chemie

  • 2015 - 2017
    • •
  • 4 441 tis. Kč
    • •
  • 4 441 tis. Kč
    • •
  • GA ČR
Project

Use of the Lippmann-Schwinger Equation in Quantum Chemical Calculation as a Possible More Effective Alternative to MB RSPT and CC Methods (GA203/93/0043)

CF - Fyzikální chemie a teoretická chemie

  • 1993 - 1995
    • •
  • 39 tis. Kč
    • •
  • 78 tis. Kč
    • •
  • GA ČR
Project

Development of new quantum chemical methods for accurate calculations of properties of small molecules (OC D3.40)

CF - Fyzikální chemie a teoretická chemie

  • 1995 - 1996
    • •
  • 0 tis. Kč
    • •
  • 455 tis. Kč
    • •
  • MŠMT
Project

New perspectives in magnetic fabric interpretation through 3D microstructural analysis, numerical modelling and quantum mechanical description (GA22-12828S)

of theoretical quantum-mechanical calculations enables to explore the dependence of magneto properties using recent progress in microstructure 3D imaging and quantum-mechanical calculations of physical properties ...

Geology

  • 2022 - 2024
    • •
  • 5 553 tis. Kč
    • •
  • 5 553 tis. Kč
    • •
  • GA ČR
Project

Intermolecular interactions studied by NMR spectroscopy and advanced quantum-chemical calculations (GA18-11851S)

and about intermolecular hydrogen bonds and nuclear quantum delocalisation of hydrogen as the model compounds. The experimental data will be complemented with quantum-chemical calculations based on path-integral molecular ...

Physical chemistry

  • 2018 - 2020
    • •
  • 5 244 tis. Kč
    • •
  • 4 707 tis. Kč
    • •
  • GA ČR
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