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Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approximation to the exact solution of the molecular time-dependent Schrödinger equa ...
The measurement and classification of light is essential across many scientific disciplines. Devices used to measure light range from the highly precise scanning spectroradiometers to the more practical compact multichannel filter-array type imaging sensor ...
We study the spectra of non-regular semisimple elements in irreducible representations of simple algebraic groups. More precisely, we prove that if G is a simply connected simple linear algebraic group and φ : G → GL(V ) is a non-trivial irreducible repres ...
engineering has remained very traditional. The advances made in the fields of representation and visualisation, and in particular the progress made in virtual reality, lead us to wonder what added value this technology can bring to the world of constructio ...
Limb amputation is characterized by complex and intermingled brain reorganization processes combining sensorimotor deprivation induced by the loss of the limb per se, and compensatory behaviors, such as the over-use of the intact or remaining limb. While a ...
We present a novel method named truncated hierarchical unstructured splines (THU-splines) that supports both local h-refinement and unstructured quadrilateral meshes. In a THU-spline construction, an unstructured quadrilateral mesh is taken as the input co ...
We provide an introduction to Gaussian process regression (GPR) machinelearning methods in computational materials science and chemistry. The focus of the present review is on the regression of atomistic properties: in particular, on the construction of in ...
Graph embedding aims at learning a vector-based representation of vertices that incorporates the structure of the graph. This representation then enables inference of graph properties. Existing graph embedding techniques, however, do not scale well to larg ...
In recent years, the idea that the prediction of sensory input is one of the major computational goals of the nervous system led to the development of several large-scale theories of brain functioning, such as different versions of the Bayesian approach to ...
This research explores the unreasoned influences of locational behaviour – i.e. locational habits – in Activity- Travel-Behaviour (ATB). In particular, the interrelations between Activity Space characteristics and mobility patterns. In a wider research eff ...