Sökning: "Monte Carlo simulation"
Visar resultat 11 - 15 av 337 avhandlingar innehållade orden Monte Carlo simulation.
11. Accelerating Monte Carlo methods for Bayesian inference in dynamical models
Sammanfattning : Making decisions and predictions from noisy observations are two important and challenging problems in many areas of society. Some examples of applications are recommendation systems for online shopping and streaming services, connecting genes with certain diseases and modelling climate change. LÄS MER
12. Charge Transport Simulations for Organic Electronics : A Kinetic Monte Carlo Approach
Sammanfattning : In this thesis we focus on the modelling and simulation of organic electronic devices, investigating their structural and electronic properties. Organic devices have attracted great interest for their innovative properties, but their functioning still represent a theoretical and technological challenge. LÄS MER
13. Fighting microbial infections with force fields: Evaluating conformational ensembles of intrinsically disordered proteins
Sammanfattning : The main goal of this compilation thesis has been to investigate the conformational ensemble of the intrinsically disordered protein (IDP) histatin 5 by using a mixture of experimental and computational techniques including, but not limited to, small-angle X-ray scattering (SAXS), circular dichroism (CD) spectroscopy, atomistic molecular dynamics (MD) simulations, and coarse-grained Monte Carlo (MC) simulations. Histatin 5 is a peptide of particular interest for two reasons. LÄS MER
14. On Bayesian graphical model determination
Sammanfattning : A graphical model specifies a graph representation of the independence structure of a multivariate distribution, where nodes represent variables and edges association between variables.This thesis introduces methodology for determination of graphical models for multivariate distributions within the exponential family. LÄS MER
15. Theoretical Studies Using Simple Ionic Liquid Models
Sammanfattning : 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. LÄS MER