Search for dissertations about: "molecular dynamics"

Showing result 16 - 20 of 1127 swedish dissertations containing the words molecular dynamics.

  2. 16. Spatiotemporal carrier dynamics in graphene

    Author : Roland Jago; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; spatiotemporal dynamics; density matrix formalism; graphene; relaxation dynamics; carrier multiplication; Bloch equations; photoconduction effect; bolometric effect;

    Abstract : Graphene as an atomically thin material exhibits remarkable optical and electronic properties that suggest its technological application in novel optoelectronic devices, such as graphene-based photodetectors and lasers. To understand the properties of such devices on a microscopic level, we study the interplay of optical excitation, carrier-carrier, carrier-phonon, and carrierphoton scattering as well as diffusion processes. READ MORE

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

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

    Abstract : 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. READ MORE

  5. 18. A theoretical perspective on photoinduced reactions - based on quantum chemical models and non-adiabatic molecular dynamics

    Author : Sambit Das; Michael Odelius; Mårten Ahlquist; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Non-adiabatic dynamics; Molecular dynamics; Surface hopping; TDDFT; X-ray absorption spectroscopy; kemisk fysik; Chemical Physics;

    Abstract : The broad range of applications for photochemical reactions is the result of light-matter interaction at the electronic level. The diverse application of photochemistry in various fields, including photovoltaic materials, molecular switches, and biological systems are due to electronic and structural transformations induced by photoexcitation as well as molecular alteration due to electron and charge transfer. READ MORE

  6. 19. Lattice dynamics : From fundamental research to practical applications

    Author : Johan Tidholm; Igor A. Abrikosov; Olle Hellman; Ferenc Tasnadi; Gerd Steinle-Neumann; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : The reason to perform calculations in material science usually falls into one of two categories: to predict or explain the origin of material properties. This thesis covers first-principle calculations for solids at extreme conditions, from both of the two mentioned categories. READ MORE

  7. 20. Molecular structure and dynamics of liquid water : Simulations complementing experiments

    Author : Daniel Schlesinger; Lars G. M. Pettersson; Paola Gallo; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; liquid water; supercooled water; molecular simulation; evaporative cooling; teoretisk fysik; Theoretical Physics;

    Abstract : Water is abundant on earth and in the atmosphere and the most crucial liquid for life as we know it. It has been subject to rather intense research since more than a century and still holds secrets about its molecular structure and dynamics, particularly in the supercooled state, i. e. the metastable liquid below its melting point. READ MORE