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4 123 (0,116s) •

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 co...

CF - Fyzikální chemie a teoretická chemie

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

Cuby - integrative software framework for computational chemistry (GP13-01214P)

The proposal covers further development of software framework for integration computational chemistry methods developed by the applicant and the work required an integrative framework Cuby as a tool for innovative computational<...

CF - Fyzikální chemie a teoretická chemie

  • 2013 - 2015
    • •
  • 823 tis. Kč
    • •
  • 823 tis. Kč
    • •
  • GA ČR
Project

Research of acetylcholinesterase reactivation by methods of computation chemistry (OVMASUN200901)

and very efficient reactivator utilising the computational chemistry methods. The goal is to find a reliable computational method for predicting the reactivationabilitiesThe computational research of acetylcholine...

CF - Fyzikální chemie a teoretická chemie

  • 2009 - 2012
    • •
  • 2 500 tis. Kč
    • •
  • 2 500 tis. Kč
    • •
  • MO
Project

Structured data network for distributed computing systems and scientific data sharing (LB98211)

The contemporary level of research in chemical physics, quantum chemistry, and solid-state chemistry calls for an application of powerful computing technology and high-capacity storage systems to perform theoretical calcula...

CA - Anorganická chemie

  • 1998 - 2000
    • •
  • 3 064 tis. Kč
    • •
  • 2 572 tis. Kč
    • •
  • MŠMT
Project

Multiscale chemical simulations on noisy quantum computers (GA25-18486S)

computational chemistry into a practical field. The developed algorithms will be testedQuantum computers represent one of the biggest technological promises of nowadays since they offer an enormous computational p...

Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

  • 2025 - 2027
    • •
  • 6 840 tis. Kč
    • •
  • 6 840 tis. Kč
    • •
  • GA ČR
Project

Parallel Algorithms Applicable to Computational Chemistry. Design and Implementation. (GA201/94/1493)

9O - 9

  • 1994 - 1994
    • •
  • 0 tis. Kč
    • •
  • 0 tis. Kč
    • •
  • GA ČR
Project

Development of new evaluation methods in chemistry (ME 428)

Development of new evaluation methods in chemistry Project aims at comparison of conversion of physical quantities to electrical ones, exploitation of QSAR-method, computer-aided evaluation of knowledge in chemistry, molecu...

CF - Fyzikální chemie a teoretická chemie

  • 2001 - 2003
    • •
  • 540 tis. Kč
    • •
  • 160 tis. Kč
    • •
  • MŠMT
Project

Machine-learning enhanced quantum chemistry for biomolecules in solution (GA25-16109S)

The description of biomolecules using computational chemistry methods also requires the modeling of their native aqueous environment. We have already demonstrated interactions, which has important applications in computer-a...

Physical chemistry

  • 2025 - 2027
    • •
  • 6 549 tis. Kč
    • •
  • 6 126 tis. Kč
    • •
  • GA ČR
Project

Establishing a modern information centre for support of research and development in the field of polymer chemistry (LI200070)

Modernization of information centre in the company of SYNPO, Pardubice, serving entirely for the needs of research and development in the field of polymer chemistry, especially of thermosetting resins, polymer dispersions, and compositions b...

CD - Makromolekulární chemie

  • 2000 - 2003
    • •
  • 26 049 tis. Kč
    • •
  • 14 772 tis. Kč
    • •
  • MŠMT
Project

Fullerenes and nanotubes as building blocks for nanotechnology (1ET401110505)

The proposed research concentrates on calculations of stabilities, reactivities and properties of fullerenes and nanotubes. Advanced techniques of computational chemistry will be applied in order to gain a deeper insight into the na...

CF - Fyzikální chemie a teoretická chemie

  • 2005 - 2007
    • •
  • 1 336 tis. Kč
    • •
  • 1 336 tis. Kč
    • •
  • AV ČR
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