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Projects

15 213 projects (0,19s) •

Project

Efficient methods for ab-initio non-adiabatic molecular dynamics (IAA400400810)

The aim of this project is to develop, assess, and apply efficient methods for ab-initio non-adiabatic molecular dynamics. In particular, we intend to circumvent the explicit calculation of the non-adiabatic coupli...

CF - Fyzikální chemie a teoretická chemie

  • 2008 - 2011
    • •
  • 3 067 tis. Kč
    • •
  • 3 067 tis. Kč
    • •
  • AV ČR
Project

Density and Statistical Properties of Molecular Levels (IAA400550511)

The objective is a physically correct description of the statistical properties of the bound ro-vibrational molecular states of polyatomic molecules undergoing unimolecular reorganizations (isomerizations). The aim is to explore prospects of the ...

CF - Fyzikální chemie a teoretická chemie

  • 2005 - 2009
    • •
  • 1 133 tis. Kč
    • •
  • 1 133 tis. Kč
    • •
  • AV ČR
Project

Excited state molecular dynamics with non-adiabatic and spin-orbit effects assisted by machine learning (GA23-06364S)

Molecular dynamics in excited states including the non-adiabatic and spin-orbit effects is an important theoretical tool for the simulation of photochemical processes on the ML of excited states and non-adiabat...

Physical chemistry

  • 2023 - 2025
    • •
  • 7 373 tis. Kč
    • •
  • 7 373 tis. Kč
    • •
  • GA ČR
Project

Ab initio molecular dynamics with non-adiabatic and spin-orbit effects applied to time-dependent fluorescence (GAP208/12/0559)

spectra. For this purpose we plan to approximately include non-adiabatic and spin studied non-adiabatic effects in a previous project, now we plan mainly to apply the non-adiabatic MD also to com...

CF - Fyzikální chemie a teoretická chemie

  • 2012 - 2017
    • •
  • 8 872 tis. Kč
    • •
  • 8 872 tis. Kč
    • •
  • GA ČR
Project

Quantum pumping of ultracold atoms and applications in Quantum Information (GAP205/10/1657)

We explore possible methods of adiabatic transport of atoms in optical lattices with the aim to find optimum processes suitable for production of entangled states will find ways of adiabatic transport of atoms that are anal...

BH - Optika, masery a lasery

  • 2010 - 2012
    • •
  • 813 tis. Kč
    • •
  • 813 tis. Kč
    • •
  • GA ČR
Project

Theory of electron transport in complex nanosystems (GA202/09/0545)

of solid state physics e.g. processes of the electron and hole separation within photo-activated molecules, switching of photochromic molecules or non-adiabatic processes theoretical techniques to challenge the co...

BM - Fyzika pevných látek a magnetismus

  • 2009 - 2011
    • •
  • 1 388 tis. Kč
    • •
  • 1 388 tis. Kč
    • •
  • GA ČR
Project

Formation of covalent molecular complexes on surfaces driven by light induced chemical reactions (GA18-09914S)

density functional theory calculations, AFM/STM simulations and non-adiabatic...

Physical chemistry

  • 2018 - 2020
    • •
  • 11 952 tis. Kč
    • •
  • 11 316 tis. Kč
    • •
  • GA ČR
Project

Modeling of interactions of cold rare-gas plasmas with ambient air (8J18FR031)

1. perform extensive ab initio calculations to deeply understand the interactions in [He/X2]+ (X = N, O) collision systems including excited electronic states and transitions between them 2. create a suite of codes for non-adiabatic...

Physical chemistry

  • 2018 - 2019
    • •
  • 108 tis. Kč
    • •
  • 108 tis. Kč
    • •
  • MŠMT
Project

Theoretical study of photochemical processes on ice surface (7AMB12FR016)

The goals of the project can be summarized as follows: 1. Study of metylchloride and hydrogen peroxide adsorption on the ice surface. 2. Photodissociation modeling of metylchloride on the surface of small water clusters and ice particles. 3. Modeling...

CF - Fyzikální chemie a teoretická chemie

  • 2012 - 2013
    • •
  • 148 tis. Kč
    • •
  • 148 tis. Kč
    • •
  • MŠMT
Project

Triplet Energy Transfer A Route to Activation of UV-chromophores by Visible Light (GA24-11466S)

light. The interest is motivated by our recent findings of a unique process, termed or whether the process could also be found in common natural chemical/biological systems for analogous processes to understand the underly...

Physical chemistry

  • 2024 - 2026
    • •
  • 10 664 tis. Kč
    • •
  • 9 968 tis. Kč
    • •
  • GA ČR
  • 1 - 10 out of 15 213