Sökning: "positive matrix factorization"
Visar resultat 1 - 5 av 10 avhandlingar innehållade orden positive matrix factorization.
1. Matrix Algebra for Quantum Chemistry
Sammanfattning : This thesis concerns methods of reduced complexity for electronic structure calculations. When quantum chemistry methods are applied to large systems, it is important to optimally use computer resources and only store data and perform operations that contribute to the overall accuracy. LÄS MER
2. Parallelization of dynamic algorithms for electronic structure calculations
Sammanfattning : The aim of electronic structure calculations is to simulate behavior of complex materials by resolving interactions between electrons and nuclei in atoms at the level of quantum mechanics. Progress in the field allows to reduce the computational complexity of the solution methods to linear so that the computational time scales proportionally to the size of the physical system. LÄS MER
3. Sources of dioxins and other POPs to the marine environment : Identification and apportionment using pattern analysis and receptor modeling
Sammanfattning : In the studies underlying this thesis, various source tracing techniques were applied to environmental samples from the Baltic region. Comprehensive sampling and analysis of polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) in surface sediments in Swedish coastal and offshore areas resulted in a unique data set for this region. LÄS MER
4. Impact of residential wood combustion on urban air quality
Sammanfattning : Wood combustion is mainly used in cold regions as a primary or supplemental space heating source in residential areas. In several industrialized countries, there is a renewed interest in residential wood combustion (RWC) as an alternative to fossil fuel and nuclear power consumption. LÄS MER
5. Efficient Density Matrix Methods for Large Scale Electronic Structure Calculations
Sammanfattning : Efficient and accurate methods for computing the density matrix are necessary to be able to perform large scale electronic structure calculations. For sufficiently sparse matrices, the computational cost of recursive polynomial expansions to construct the density matrix scales linearly with increasing system size. LÄS MER