Sökning: "coarse"

Visar resultat 1 - 5 av 360 avhandlingar innehållade ordet coarse.

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

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

    Sammanfattning : 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. LÄS MER

  3. 2. Coarse-Grained Models of Ionic Solutions

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

    Sammanfattning : 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. LÄS MER

  4. 3. Coarse-Grained Modelling of Protein Adsorption

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

    Sammanfattning : 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. LÄS MER

  5. 4. Deriving coarse grained descriptions of particle based simulations

    Författare :Johan Nyström; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Coarse graining; Mori-Zwanzig projection; Dissipative particle dynamics;

    Sammanfattning : In the field of molecular simulations, the long standing aim has been to study mechanisms that cannot easily be observed in experiments or understood in terms of more abstract models. Fully detailed molecular dynamics simulations can be extremely successful in many areas, but when applied to mesoscopic systems with a large number of molecules, the time and length scales on which important phenomena take place are often far beyond what is feasible to simulate with modern computers. LÄS MER

  7. 5. PROTEIN FOLD SWITCHING IN COARSE-GRAINED MODELS

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

    Sammanfattning : 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. LÄS MER