Sökning: "Theoretical physics"
Visar resultat 6 - 10 av 1074 avhandlingar innehållade orden Theoretical physics.
6. Development and applications of theoretical algorithms for simulations of materials at extreme conditions
Sammanfattning : Materials at extreme conditions exhibit properties that differ substantially from ambient conditions. High pressure and high temperature expose anharmonic, non-linear behavior, and can provoke phase transitions among other effects. Experimental setups to study that sort of effects are typically costly and experiments themselves are laborious. LÄS MER
7. Hydrogen Bonding in Liquid Alcohols
Sammanfattning : Hydrogen bonded (H-bonded) materials, such as water, alcohols, sugars, and even DNA, are extremely important for biology, as well as chemical industry. Alcohols are used as solvents in paints, in perfumes, as cleaners, anti-freezers, or as an alternative to petrol in combustion engines. LÄS MER
8. Biomimetic Iron Complexes involved in Oxygenation and Chlorination : A Theoretical Study
Sammanfattning : Biomimetic chemistry is directed towards the simulation of enzymatic reactivity with synthetic analogues. In this thesis a quantum chemical method has been employed to study the mechanism of highly reactive iron-oxo complexes involved in oxygenation and chlorination of organic substrates. LÄS MER
9. Theoretical prediction of properties of atomistic systems : Density functional theory and machine learning
Sammanfattning : The prediction of ground state properties of atomistic systems is of vital importance in technological advances as well as in the physical sciences. Fundamentally, these predictions are based on a quantum-mechanical description of many-electron systems. LÄS MER
10. Triptych of quantum matter in one dimension : Playful constructions in theoretical and computational physics
Sammanfattning : In this compilation thesis, three different quantum mechanical systems are presented. All three have in common that they are one-dimensional quantum systems which, each in their own way, can be seen as analogous to other quantum systems. LÄS MER
