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10 725 (0,102s) •

Project

Simple and complex models of aqueous solutions The effect of nonadditive interactions (IAA400720802)

and polarizable models, will be studied by computer simulations at both simple and complex levels.The simple models serve as a basis for development of a (perturbation) theory of these fluids and their mixtures. The simula...

CF - Fyzikální chemie a teoretická chemie

  • 2008 - 2012
    • •
  • 2 355 tis. Kč
    • •
  • 2 355 tis. Kč
    • •
  • AV ČR
Project

NONADDITIVE INTERACTIONS IN AQUEOUS SOLUTIONS OF ELECTROLYTES ROLE OF POLARIZIBILITY AND CROSS INTERACTIONS (LH12019)

The ultimate goal of the project is to develop accurate transferable force fields for simple (mono-, di-, and tri-valent) ions consistent with the polarizable GCP model of water for the description of both bulk and interfacial aqueo...

CF - Fyzikální chemie a teoretická chemie

  • 2012 - 2014
    • •
  • 860 tis. Kč
    • •
  • 860 tis. Kč
    • •
  • MŠMT
Project

Novel co-doping effects in higly polarizable perovskites self-ordering, gigantic responses, applications (ME 429)

""Co-doping"" of highly polarizable oxides (e.g.,the double doped KTaO3 with Li and Nb, KLTN) affects material properties unexpectedly stronger. Gigantic responses and new types of phase transitions, whose transition temperature and characte...

BM - Fyzika pevných látek a magnetismus

  • 2001 - 2002
    • •
  • 3 810 tis. Kč
    • •
  • 830 tis. Kč
    • •
  • MŠMT
Project

Multiscale mesoscopic ordering and novel phenomena in highly polarizable solids (ME 064)

BM - Fyzika pevných látek a magnetismus

  • 1996 - 1998
    • •
  • 795 tis. Kč
    • •
  • 720 tis. Kč
    • •
  • MŠMT
Project

High-entropy building blocks for sustainable porous liquids (8J24FR011)

Goals of the project include development of accurate computational models in molecular simulations will be investigated in order to develop a polarizable computational model and to predict the melting temperatures of non-id...

Physical chemistry

  • 2024 - 2025
    • •
  • 200 tis. Kč
    • •
  • 200 tis. Kč
    • •
  • MŠMT
Project

Study of electrowetting Open statistical ensemble computer simulations of aqueous electrolytes in confined geometry and electric field (GP13-35793P)

these phenomena using both pairwise additive molecular models and polarizable models....

CF - Fyzikální chemie a teoretická chemie

  • 2013 - 2015
    • •
  • 1 154 tis. Kč
    • •
  • 1 154 tis. Kč
    • •
  • GA ČR
Project

Molecular simulation studies of structure and dynamics of ice surfaces in the presence of impurities and atmospheric pollutants (GAP208/10/1724)

We propose a systematic study of fundamental physical and chemical processes occurring at the ice-air interface in the tropospheric and stratospheric conditions using a combination of state-of-the-art methods of computational chemistry and molecular ...

CF - Fyzikální chemie a teoretická chemie

  • 2010 - 2014
    • •
  • 4 882 tis. Kč
    • •
  • 4 882 tis. Kč
    • •
  • GA ČR
Project

Formation of electrorheological structures and their chracterization (GA202/06/0419)

The project focuses on the research of lamellar and ring structures formed during the flow of suspensions in electric field and their dependence on dispersed particles shape and size, DC and AC electric conductivity and dielectric properties determin...

JI - Kompositní materiály

  • 2006 - 2008
    • •
  • 2 538 tis. Kč
    • •
  • 2 538 tis. Kč
    • •
  • GA ČR
Project

Properties of water and seawater in metastable states. Experiment, molecular simulation and thermodynamic modeling. (GA16-02647S)

such as IAPWS-95 and development of future models. Moreover, the region is interesting due will also be computed by molecular simulations using polarizable intermolecular will be represented by models based on statistical ...

BJ - Termodynamika

  • 2016 - 2018
    • •
  • 6 148 tis. Kč
    • •
  • 5 865 tis. Kč
    • •
  • GA ČR
Project

Theory of intrinsic Hall-like transport effects (GA202/08/0551)

of the electron polarizability upon the Hall effect. Further, we want to establishthe system analysis will be performed for ferromagnetic model systems.......

BM - Fyzika pevných látek a magnetismus

  • 2008 - 2010
    • •
  • 297 tis. Kč
    • •
  • 297 tis. Kč
    • •
  • GA ČR
  • 1 - 10 out of 10 725