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A rigorous quantum description of molecular dynamics with a particular emphasis on internal observables is developed accounting explicitly for kinetic couplings between nuclei and electrons. Rotational modes are treated in a genuinely…
Compositionality is a key property for dealing with complexity, which has been studied from many points of view in diverse fields. Particularly, the composition of individual computations (or programs) has been widely studied almost since…
The study of topological information of spatial objects has for a long time been a focus of research in disciplines like computational geometry, spatial reasoning, cognitive science, and robotics. While the majority of these researches…
When modeling geostatistical or areal data, spatial structure is commonly accommodated via a covariance function for the former and a neighborhood structure for the latter. In both cases the resulting spatial structure is a consequence of…
A class of Cantor-type spaces and related geometric structures are discussed.
Spacetime is represented by ordered sequences of topologically closed Poincare sections of the primary space constructed of primary empty cells. These mappings are constrained to provide homeomorphic structures serving as frames of…
Decomposition spaces are a class of function spaces constructed out of well-behaved coverings and partitions of unity of a set. The structure of the covering of the set determines the properties of the decomposition space. Besov spaces,…
The structure of nanoclusters is complex to describe due to their noncrystallinity, even though bonding and packing constraints limit the local atomic arrangements to only a few types. A computational scheme is presented to extract…
Topologically stable cellular partitions of D dimensional spaces are studied. A complete statistical description of the average structural properties of such partition is given in term of a sequence of D/2-1 (or (D-1)/2) variables for D…
Composition is a powerful principle for systems biology, focused on the interfaces, interconnections, and orchestration of distributed processes to enable integrative multiscale simulations. Whereas traditional models focus on the structure…
This work explores the morphology and dynamical properties of cores within rich superclusters, highlighting their role as transitional structures in the large-scale structure of the Universe. Using projected and radial velocity…
Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems depend on the underlying ordering of their constituent…
There is a high degree of compartmentalization in the living cell where various compartments sustain different chemical reactions and transport reactants among themselves. It is exactly such situation that is investigated. The main…
A simplified view of the space of optimised stellarators has the potential to guide and aid the design efforts of magnetic confinement configurations suitable for future fusion reactors. We present one such view for the class of…
Colloidal clusters consist of small numbers of colloidal particles bound by weak, short-range attractions. The equilibrium probability of observing a cluster in a particular geometry is well-described by a statistical mechanical model…
Two important classes of quantum structures, namely orthomodular posets and orthomodular lattices, can be characterized in a classical context, using notions like partial information and points of view. Using the formalism of representation…
Modular structure is pervasive in many complex networks of interactions observed in natural, social and technological sciences. Its study sheds light on the relation between the structure and function of complex systems. Generally speaking,…
In many areas of applied geometric/numeric computational mathematics, including geo-mapping, computer vision, computer graphics, finite element analysis, medical imaging, geometric design, and solid modeling, one has to compute incidences,…
We consider causal 3-dimensional triangulations with the topology of $S^2\times [0,1]$ or $D^2\times [0,1]$ where $S^2$ and $D^2$ are the two-dimensional sphere and disc, respectively. These triangulations consist of slices and we show that…
A method is proposed for the characterisation of the entropy of cellular structures, based on the compactivity concept for granular packings. Hamiltonian-like volume functions are constructed both in two and in three dimensions, enabling…