Sökning: "Coarse graining"
Visar resultat 16 - 19 av 19 avhandlingar innehållade orden Coarse graining.
16. Algorithms and Interaction Potentials: phase density, surface tension and carbon dioxide
Sammanfattning : This thesis is an amalgamation of articles (Papers I–V) by the author. We present a perturbation algorithm to calculate the phase density, and thus the partition function including its temperature dependence. LÄS MER
17. Adaptivity for Stochastic and Partial Differential Equations with Applications to Phase Transformations
Sammanfattning : his work is concentrated on efforts to efficiently compute properties of systems, modelled by differential equations, involving multiple scales. Goal oriented adaptivity is the common approach to all the treated problems. LÄS MER
18. On error controlled atomistic-to-continuum modeling with application to graphene monolayers
Sammanfattning : In order to consider virtual materials, i.e. materials that are not manufactured yet, it can be advantageous to model physical phenomena on a lower length scale than the macroscopic one. In such a case, homogenization (or coarse-graining) can be a useful tool. LÄS MER
19. Electrostatic Interactions In and Between Biomolecules
Sammanfattning : Electrostatic interactions in bio-molecular systems are important not only in the living cell but also in more technical applications. Using molecular simulation as well as approximate theories the properties of a number of aqueous protein solutions have been studied. LÄS MER