This thesis focuses on how absorption properties of molecules are influenced by their environment and how this can be calculated accurately. Calculations have been performed with a polarizable embedding (PE) multiscale model. The environment is described classically by charges and electric multipoles for the permanent electrostatics and polarizabilities for polarization interactions. Density-functional ...

This thesis is concerned with a symmetry classification problem for ordinary differential equations (ODEs) that dates back to Sophus Lie. We focus on higher order ODEs, i.e. scalar ODEs of order greater than or equal to 4 or vector ODEs of order greater than or equal to 3, up to contact transformations. The maximal contact symmetry algebra dimensions for these ODEs are known. We determine for ...

A special case of population fluctuation is multi-annual population cycles. While such population cycles exist in several ecosystems, they are more prominent in northern (e.g.tundra) ecosystems, especially among key stone herbivore species. These herbivores providean important ecosystem function in the sense of pulsed flows of resources (i.e. for predators) and disturbances (i.e. for vegetation) ...

What causes the escape of natural gases to the seafloor and how significant this escape has been along the mid-Norwegian continental margin? These are questions that guided the doctoral thesis. The thesis is part of a research project supported by the European Commission and the Norwegian Research Council, which aims at quantifying geological processes that control fluid flow and gas hydrate formation ...

MapReduce has become a widely employed programming model for large-scale data-intensive computations. Traditional MapReduce engines employ dynamic routing of data as a core mechanism for fault tolerance and load balancing. An alternative mechanism is static routing, which reduces the need to store temporary copies of intermediate data, but requires a tighter coupling between the components for ...

Real algebraic geometry studies sets defined by a finite system of real polynomial equalities and inequalities. A central topic in this area is the study of the cone of nonnegative polynomials. Verifying that a given polynomial is nonnegative is an NP-hard problem. However, it turns out to be algorithmically much more feasible to verify if a given polynomial admits a representation into a sum of ...

Type 2 diabetes is one of the greatest challenges that continues to grow because of the ageing population, increasing morbid obesity and sedentary lifestyles. Social media such as Facebook and YouTube have transformed the way people interact in general and on the Internet, but the role of social media in healthcare is still not well-understood. Current understanding of the association between ...

<p>Cyclic peptides are a class of molecules that has shown antimicrobial potential. These are complex compounds to investigate with their large conformational space and multiple chiral centers. A technique that can be used to investigate both conformational preferences and absolute configuration (AC) is vibrational circular dichroism (VCD). To extract information from the experimental VCD spectra a ...

The cryosphere encompasses the seasonally and perennially frozen parts of the earth and its extent is both sensitive to and impacts upon the global climate through surface energy and moisture fluxes and feedbacks. The dynamics of ice and frozen ground also impact directly on, e.g., construction and maintenance of roads in cold regions or transportation across floating ice sheets. The aim of this ...

Bioinformatics has seen an extreme data growth in later years due to the reduction in cost per megabase of sequencing, which today is around 1/400,000th of the cost in 2001. This reduction in cost enables new types of studies, such as searching for novel enzymes in marine environments using metagenomic approaches. However, it also leads to an increase in volume of data, which shifts overall cost ...