Sökning: "Coarse graining"

Visar resultat 1 - 5 av 16 avhandlingar innehållade orden Coarse graining.

  1. 1. Multiscale simulations of soft matter: systematic structure-based coarse-graining approach

    Detta är en avhandling från Stockholm : Department of Materials and Environmental Chemistry (MMK), Stockholm University

    Författare :Alexander Mirzoev; Stockholms universitet.; [2013]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Multiscale modeling; Monte Carlo; Molecular dynamics; ion solution; lipid bilayer; coarse-graining; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : The soft matter field considers a wide class of objects such as liquids, polymers, gels, colloids, liquid crystals and biological macromolecules, which have complex internal structure and conformational flexibility leading to phenomena and properties having multiple spacial and time scales. Existing computer simulation methods are able to cover these scales, but with different resolutions, and ability to link them together performing a multiscale simulation is highly desirable. LÄS MER

  2. 2. Coarse Graining Monte Carlo Methods for Wireless Channels and Stochastic Differential Equations

    Detta är en avhandling från Stockholm : KTH

    Författare :Håkon Hoel; KTH.; [2010]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Coarse graining; Monte Carlo Methods; Stochastic processes; MATHEMATICS Applied mathematics Numerical analysis; MATEMATIK Tillämpad matematik Numerisk analys;

    Sammanfattning : This thesis consists of two papers considering different aspects of stochastic process modelling and the minimisation of computational cost.In the first paper, we analyse statistical signal properties and develop a Gaussian pro- cess model for scenarios with a moving receiver in a scattering environment, as in Clarke’s model, with the generalisation that noise is introduced through scatterers randomly flip- ping on and off as a function of time. LÄS MER

  3. 3. Deriving coarse grained descriptions of particle based simulations

    Detta är en avhandling från Stockholm : KTH

    Författare :Johan Nyström; [2008]
    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

  4. 4. Estimating Effective Interactions from Particle Trajectories

    Detta är en avhandling från Stockholm : KTH

    Författare :Kolbjörn Tunström; [2009]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Mori-Zwanzig projection; Force matching; United atoms; Multi-scale molecular dynamics; Coarse-graining; Molecular dynamics thermostat; Inverse Monte Carlo; Dissipative particle dynamics; Swarming;

    Sammanfattning : The theoretical and practical understanding of molecular systems is strongly dependent on computer simulations. All-atom molecular dynamics techniques are capable of sim- ulating systems on the scale of millions of particles up to about 100 ns. LÄS MER

  5. 5. Deriving effective forces for mesoscopic particle simulations

    Detta är en avhandling från Stockholm : KTH

    Författare :Johan Nyström; [2009]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Coarse graining; Boids; Force covariance; Mori-Zwanzig projection; Dissipative particle dynamics; Force matching; Flocking.;

    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. This is hard for systems of mesoscopic size (proteins, membranes etc. LÄS MER