Sökning: "Molecular dynamic simulation"

Visar resultat 1 - 5 av 34 avhandlingar innehållade orden Molecular dynamic simulation.

  1. 1. Computational Ecotoxicology

    Författare :Sergio Manzetti; David Van der Spoel; Janez Mavri; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; pollutants; simulation; molecular; dynamic; quantum; chemistry; Biology with specialization in Molecular Biotechnology; Biologi med inriktning mot molekylär bioteknik;

    Sammanfattning : Human society has progressed by polluting ecosystems since at least the early industrial revolution. Large amounts of harmful chemical compounds have been dispersed in soils, seas, ground waters and wildlife habitats by industrial and anthropomorphic activities over the last two centuries, leading to a persistent toxicological load on the environment. LÄS MER

  2. 2. Molecular Exchange in Colloidal Dispersions

    Författare :Alex Evilevitch; Kemiska institutionen; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; charged micoremulsion droplets; kinetics; mechanism.; Physical chemistry; Fysikalisk kemi; molecular transport; cell model; infinite dilution limit; turbidity measurements; oil solubilization; computer simulation; modeling; monomer diffusion; molecular exchange; Microemulsion droplets; oil droplets;

    Sammanfattning : This thesis is a study of molecular exchange between the aggregates in a colloidal dispersion. The problem of oil molecular transport at resolubilization of big oil drops by smaller microemulsion droplets is considered as an experimental model system. LÄS MER

  3. 3. Molecular Processes in Dynamic Wetting : Du som saknar dator/datorvana kan kontakta Cathrine Bergh, [email protected] för information

    Författare :Petter Johansson; Berk Hess; Erik Lindahl; Guillaume Galliero; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; contact lines; nanodroplets; computational physics; molecular dynamics; fluid dynamics; multi-phase flows; electrowetting; Biologisk fysik; Biological Physics;

    Sammanfattning : The spreading of liquids onto and over surfaces is a fundamental process in nature. It is present in all forms and sizes: From rivers carving through landscapes, to our blood stream transporting nutrients to cells, and even single water molecules moving through channels into these cells. LÄS MER

  4. 4. Visualization and mesoscopic simulation in systems biology

    Författare :Martin Falk; Thomas Ertl; Germany University of Stuttgart Visualization Research Center; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Scientific Visualization; GPGPU; Simulation; Systems Biology; Model Development; Signal Transduction;

    Sammanfattning : Biological cells appear everywhere on earth. They might live on their own as unicellular organism, like bacteria, or might form complex organisms consisting of several thousands or millions of cells. Despite their small size of only a few micrometers, they are complex little miracles. LÄS MER

  5. 5. Stochastic Simulation of Reaction-Diffusion Processes

    Författare :Stefan Hellander; Per Lötstedt; Johan Elf; Koichi Takahashi; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; stochastic simulation; microscale; mesoscale; Smoluchowski s equation; hybrid methods; Beräkningsvetenskap med inriktning mot numerisk analys; Scientific Computing with specialization in Numerical Analysis;

    Sammanfattning : Numerical simulation methods have become an important tool in the study of chemical reaction networks in living cells. Many systems can, with high accuracy, be modeled by deterministic ordinary differential equations, but other systems require a more detailed level of modeling. LÄS MER