Search for dissertations about: "Ensembles"

Showing result 11 - 15 of 94 swedish dissertations containing the word Ensembles.

  2. 11. Deciphering conformational ensembles and communication pathways in biomolecules

    Author : Annie M. Westerlund; Lucie Delemotte; Erik Lindahl; Kresten Lindorff-Larsen; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics; Clustering; Machine learning; Network analysis; Calmodulin; KCNQ1; Biological Physics; Biologisk fysik;

    Abstract : Life is constructed by small building blocks called cells. Proteins are the biomolecules within these cells which carry out different functions. Proteins located in the cell membrane, for example, allow for the transport of ions and small molecules, as well as communication, across the cell membrane. READ MORE

  4. 12. Ensembles and Open Quantum Systems in Polaritonic Chemistry

    Author : Eric Davidsson; Markus Kowalewski; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Polaritonic Chemistry; Optical Cavities; Open Quantum Systems; Quantum Simulations; teoretisk fysik; Theoretical Physics;

    Abstract : Optical cavities—where spatial confinement can focus electromagnetic excitations—are able to couple matter to light with enough strength that the behaviour of the combined system is best understood in terms of polaritonic states; mixtures of excitations in both light and matter. This polaritonic regime provides a novel approach for modification and control of chemical reactions, and lately, experimental advancements are realising this potential. READ MORE

  5. 13. Neural Network Ensembles and Combinatorial Optimization with Applications in Medicine

    Author : Henrik Haraldsson; Beräkningsbiologi och biologisk fysik - Genomgår omorganisation; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; numerisk analys; machine learning; artificial neural networks; ensemble methods; feature extraction; ECG; combinatorial optimization; mean field annealing; Computer science; numerical analysis; systems; Datalogi; control; system; kontroll; Artificial intelligens; Artificiell intelligens; Fysicumarkivet A:2003:Haraldsson;

    Abstract : Artificial neural network (ANN) and combinatorial optimization algorithms are developed, and applied to the medical domain. A novel method for training an ensemble of ANN is presented, based on random weight updates alternated with replication of networks with low error. READ MORE

  6. 14. Optimizing sampling of important events in complex biomolecular systems

    Author : Lindahl Viveca; Berk Hess; Erik Lindahl; Bert de Groot; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; molecular dynamics; free energy calculation; adaptive sampling; extended ensembles; membrane proteins; DNA; Biological Physics; Biologisk fysik;

    Abstract : Proteins and DNA are large, complex molecules that carry out biological functions essential to all life. Their successful operation relies on adopting specific structures, stabilized by intra-molecular interactions between atoms. READ MORE

  7. 15. Variance Reduction in Analytical Chemistry : New Numerical Methods in Chemometrics and Molecular Simulation

    Author : K. Magnus Åberg; Sven P. Jacobsson; Richard G. Brereton; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; chemometrics; pulse-coupled neural networks; peak alignment; class separability; molecular dynamics; Monte Carlo; expanded ensembles; free energy; Analytical chemistry; Analytisk kemi;

    Abstract : This thesis is based on five papers addressing variance reduction in different ways. The papers have in common that they all present new numerical methods. READ MORE