Sökning: "Physical models"

Visar resultat 1 - 5 av 2106 avhandlingar innehållade orden Physical models.

  1. 1. Correlated materials : models and methods

    Författare :Hugo Strand; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; correlated electrons; Hubbard model; multiband Hubbard model; dynamical mean field theory; exact diagonalization; Landau theory; Mott metal-insulator transition; Gutzwiller method; many-body point group symmetry; ironchalcogenides; Kanamori interaction; Slater-Condon interaction;

    Sammanfattning : This thesis encompass a series of studies on methods and models for electron systems with local interactions, relevant for correlated materials. The first study focus on the canonical model for local correlation, the Hubbard model. LÄS MER

  2. 2. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory

    Författare :Mikkel Jørgensen; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Density Functional Theory; Methane oxidation; Mean-field approximation; Microkinetic modeling; Kinetic Monte Carlo; Nanoparticles; Entropy; CO oxidation; Catalysis;

    Sammanfattning : Heterogeneous catalysis is vitally important to modern society, and one path towardsrational catalyst design is through atomistic scale understanding. The atomistic scalecan be linked to macroscopic observables by microkinetic models based on first-principlescalculations. LÄS MER

  3. 3. Mathematical Models in Cellular Biophysics

    Författare :Jacob Kowalewski; Hjalmar Brismar; Erik Fransén; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Calcium oscillations; Diffusion; Dopamine receptors; Mathematical models; Computer simulations; FRAP; Physics; Fysik;

    Sammanfattning : Cellular biophysics deals with, among other things, transport processes within cells. This thesis presents two studies where mathematical models have been used to explain how two of these processes occur. Cellular membranes separate cells from their exterior environment and also divide a cell into several subcellular regions. LÄS MER

  4. 4. Development of large-scale molecular and nanomaterial models

    Författare :Mikhail Ivanov; Alexander P. Lyubartsev; Arnold Maliniak; Herre Jelger Risselada; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular simulations; Coarse-grained models; Lipids; TiO2 surface; Machine learning; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : Molecular simulations can access unique atomic-scale information about new materials, pharmaceuticals, and biological environments, making cost-effective predictions and aiding experimental studies. They are particularly useful for describing the mechanisms of nanoscale phenomena and the biological/inorganic interfaces. LÄS MER

  5. 5. Super Wess-Zumino-Witten models

    Författare :Måns Henningson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; conformal field theories; Sugawara construction; Wess-Zumino-Witten models; superstrings; superalgebras;

    Sammanfattning : .... LÄS MER