Search for dissertations about: "parallel-tempering"

Found 5 swedish dissertations containing the word parallel-tempering.

2. 1. Spin ice and demagnetising theory

   Author : Mikael Twengström; Patrik Henelius; Peter Holdsworth; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Geometrical frustration; spin ice; Monte Carlo simulations; demagnetising theory; special temperatures; Ewald summation; neutron scattering; structure factors; loop algorithms; parallel tempering; frustrated ferromagnets; equilibration issues; long-range interactions; exchange interactions.; Fysik; Physics;

   Abstract : Frustration, or the inability to simultaneously minimise all local interactions is, a phenomenon occurring in a broad number of physical systems. We will in this thesis focus on a class of frustrated ferromagnetic materials called spin ices and how both numerical and experimental techniques can be used to understand their properties. READ MORE

4. 2. Molecular Recognition and Conformational Dynamics in Macromolecules

   Author : Soumendranath Bhakat; Biofysikalisk kemi; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Protein; ligand; host-guet; funnel metadynamics; MM PBSA; well-tempered metadynamics; collective variable; tyrosine; aspartic protease; local fluctuations; hydrogen exchange; time-lagged independent component analysis; principal component analysis; parallel-tempering;

   Abstract : Computational methods gained a widespread use in drug discovery. Understanding conformational dynamics of protein and mechanisms of protein-ligand binding are two major areas in drug discovery. Molecular dynamics (MD) simulation have been routinely used to study conformational dynamics of protein and mechanisms of protein-ligand binding. READ MORE

5. 3. Topics on Generative Models in Machine Learning

   Author : Carl Ringqvist; Henrik Hult; Thomas Schön; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES;

   Abstract : Latent variable models have been extensively studied within the field of machine learning in recent years. Especially in combination with neural networks and training through back propagation, they have proven successful for a variety of tasks; notably sample gener- ation, clustering, disentanglement and interpolation. READ MORE

6. 4. Theory of Disordered Magnets

   Author : Oleg E. Peil; Börje Johansson; Hubert Ebert; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; disordered alloys; magnetic alloys; spin glasses; ab initio calculations; Monte Carlo methods; Physics; Fysik;

   Abstract : Studying magnetic properties of disordered alloys is important both for the understanding of phase transformations in alloys and from the point of view of fundamental issues of magnetism in solids. Disorder in a magnetic system can result in unconventional magnetic structures, such as spin glass, which have rather peculiar features. READ MORE

7. 5. Structure formation, phase transitions and drag interactions in multicomponent superconductors and superfluids

   Author : Karl Sellin; Egor Babaev; Anatoly Kuklov; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Fysik; Physics;

   Abstract : Superconductivity and superfluidity are some of the most funda-mental and important phenomena of modern physics. However, muchtheoretical work for such systems so far has been restricted to the one-component case. READ MORE