Search for dissertations about: "Coarse-grained model"

Showing result 1 - 5 of 48 swedish dissertations containing the words Coarse-grained model.

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

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

    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

  4. 2. Coarse-Grained Models of Ionic Solutions

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

    Abstract : Room-temperature ionic liquids (RTILs) are compounds composed entirely of ions, which are liquid at temperatures below 100 degrees Celsius. Their high ionic strength and strong coupling make them useful for a number of applications, e.g. as electrolytes in supercapacitors. READ MORE

  5. 3. Coarse-Grained Modelling of Protein Adsorption

    Author : Kristin Hyltegren; Beräkningskemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; intrinsically disordered proteins; histatin 5; fibrinogen; protein adsorption; nanotopography; ellipsometry; Monte Carlo simulations; Coarse-grained modelling; charge regulation;

    Abstract : The adsorption of proteins is a very common phenomenon, happening almost always when a protein solution comes into contact with a solid. However, it is far from always clear what the results of adsorption will be in terms of adsorbed amount, protein orientation, and protein conformation. READ MORE

  6. 4. PROTEIN FOLD SWITCHING IN COARSE-GRAINED MODELS

    Author : Christian Holzgräfe; Beräkningsbiologi och biologisk fysik - Genomgår omorganisation; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Fysicumarkivet A:2014:Holzgräfe; coarse-grained model; protein folding; evolution; fold switching;

    Abstract : Proteins carry out the instructions encoded in genes and are crucial for many important tasks in the living organism. Often the specific three dimensional structure, or fold, of a protein enables it to carry out a given task. READ MORE

  7. 5. Theoretical Studies Using Simple Ionic Liquid Models

    Author : Hongduo Lu; Beräkningskemi; []
    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