We present a flexible and efficient framework for multiscale modeling in computational chemistry (MiMiC). It is based on a multiple-program multiple-data (MPMD) model with loosely coupled programs. Fast data exchange between programs is achieved through the use of MPI intercommunicators. This allows exploiting the existing parallelization strategies used by the coupled programs while maintaining a ...

To better constrain the global carbon cycle fundamental knowledge of the role of carbon cycling on continental margins is crucial. Fjords are particularly important shelf areas for carbon burial due to relatively high sedimentation rates and high organic matter fluxes. As terrigenous organic matter is more resistant to remineralization than marine organic matter, a comprehensive knowledge of the ...

The drainage of meltwater beneath ice sheets exerts a fundamental control on ice flow variability, by regulating the lubrication of the ice-bed interface, and determining subglacial sediment shear strengths. This thesis investigates meltwater drainage of the Fennoscandian and Barents Sea ice sheets through the combined application of geomorphologically based reconstruction and modelling of subglacial ...

The Svyatogor Ridge, located in the Fram strait, is a site hosting a fluid flow system. The Svyatogor Ridge is part of the inside corner high at the Knipovich Ridge-Molloy Transform fault intersection. The Knipovich Ridge is an ultra-slow, melt-poor spreading ridge with approximately 8 mm/yr spreading rate. At this northernmost segment of the Knipovich Ridge, spreading is predominantly accommodated ...

In this thesis we present a scientific investigation of the spectral and bidirectional reflectance properties of two lichen species, <i>Flavocetraria nivalis</i> and <i>Cladina stellaris</i>, and one moss, <i>Racomitrium lanuginosum</i>. The spectral and bidirectional characterizations were based on high-quality laboratory measurements made in the European Goniometer facility, at the Joint Research ...

The Boqueirão granitic pegmatite, alias Alto da Cabeça pegmatite, is situated in Borborema Pegmatitic Province (BPP) in Northeast Brazil. This pegmatitic province hosts globally important reserves of tantalum and beryllium, as well as significant quantities of gemstones, including aquamarine, morganite, and the high-quality turquoise-blue “Paraíba Elbaite”. The studied lithium-cesium-tantalum Boqueirão ...

N-acetylneuraminate lyases (NALs) are enzymes that catalyze the reversible cleavage and synthesis of sialic acids. They are therefore commonly used for the production of these high-value sugars. This study presents the recombinant production, together with biochemical and structural data, of the NAL from the psychrophilic bacterium Aliivibrio salmonicida LFI1238 (AsNAL). Our characterization shows ...

Obesity and other health problems have a high prevalence in people with intellectual disabilities. Many lead a sedentary lifestyle and often have low scores on fitness indicators such as muscle strength and cardiovascular fitness. The purpose of this research is to identify design techniques and features of a mobile application that can help promote physical activity in people with intellectual ...

The potential for knowledge discovery is currently underutilized on pharmacoepidemiologic data sets. A big dataset enables finding and assessing rare drug consumption patterns that are associated with adverse drug reactions causing hospitalization, or death. To enable such exploration of big pharmacoepidemiology data, four key issues need so be addressed. First, to ingest, transform, preprocess ...

The focus of this thesis is to do ice-water classification on Sentinel-1 EW SLC imagery using an unsupervised Mixture of Gaussian segmentation algorithm. The classes are automatically labelled as sea ice or water based on the slope of the observed brightness decay from near- to far-range, which is different for sea ice and water. The aim of the thesis is twofold. In the first part, the ability of ...