Search for dissertations about: "coarse-grained model"

Showing result 1 - 5 of 31 swedish dissertations containing the words coarse-grained model.

  1. 1. Electrostatic Interactions in Coarse-Grained Simulations Implementations and Applications

    University dissertation from Stockholm : Department of Materials and Environmental Chemistry (MMK), Stockholm University

    Author : Yong-Lei Wang; Stockholms universitet.; [2013]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; dissipative particle dynamics; electrostatic interaction; ionic liquid; coarse-grained model; Physical Chemistry; fysikalisk kemi;

    Abstract : Electrostatic interactions between charged species play a prominent role in determining structures and states of physical system, leading to important technological and biological applications. In coarse-grained simulations, accurate description of electrostatic interactions is crucial in addressing physical phenomena at larger spatial and longer temporal scales. READ MORE

  2. 2. Coarse-Grained Models of Ionic Solutions

    University dissertation from Division of Theoretical Chemistry, Department of Chemistry, Lund University

    Author : Ryan Szparaga; Lunds universitet.; Lund University.; [2015]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Monte Carlo; Classical Density Functional Theory; Coarse-Grained Models; Ionic Liquids; Prewetting; Capillary Condensation; Electric Double Layer; Differential Capacitance.;

    Abstract : Popular Abstract in English Typically, when we speak of ionic solutions we mean a salt (as solute) dissolved in some liquid (the solvent). In this thesis, we predominantly consider ionic solutions for which there is no solvent---room-temperature ionic liquids (RTILs). READ MORE

  3. 3. PROTEIN FOLD SWITCHING IN COARSE-GRAINED MODELS

    University dissertation from Department of Astronomy and Theoretical Physics, Lund University

    Author : Christian Holzgräfe; Lunds universitet.; Lund University.; [2014]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Fysicumarkivet A:2014:Holzgräfe; coarse-grained model; protein folding; evolution; fold switching;

    Abstract : Popular Abstract in Swedish Proteiner är livsnödvändiga. I grunden består de av utsträckta kedjor av aminosyror, av vilka det endast finns 20 olika sorter. READ MORE

  4. 4. Theoretical Studies Using Simple Ionic Liquid Models

    University dissertation from Lund University

    Author : Hongduo Lu; Lunds universitet.; Lund University.; [2018-12]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Room Temperature Ionic Liquids; Coarse-Grained Models; Differential Capacitance; Monte Carlo; Classical Density Functional Theory; Room Temprerature Ionic Luqids; coarse-grained model; differential capacitance; Monte Carlo simulation; Classical Density Functional Theory;

    Abstract : Room Temperature Ionic Liquids (RTILs) are organic salts that melt below 100 degrees Celsius. The advantages of RTILs, such as high ionic concentrations and low melting points, promote several potential applications. For instance, RTILs could be utilized in manufacturing energy storage devices, and as efficient solvents. READ MORE

  5. 5. Anisotropic Protein Interactions in Salt Solutions and at Interfaces: Coarse Grained Modeling

    University dissertation from Theoretical Chemistry, Lund University

    Author : Anil Kurut Sabanoglu; Lunds universitet.; Lund University.; Lunds universitet.; Lund University.; [2014]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Anisotropic interactions; protein electrostatics; phase association; surface adsorption; coarse grained models; Monte Carlo simulations;

    Abstract : Popular Abstract in English Proteins are molecular machines of the human body which regulate all life sustaining processes such as energy production, communication, transport of essential molecules, defense against microbes, etc. They are built by small molecular units called amino acids, bound together like pearls on a necklace. READ MORE