Edge excitations and topological order in rotating Bose gas

The edge excitations and related topological orders of correlated states of a fast rotating Bose gas are studied. Using exact diagonalization of small systems, we compute the energies and number of edge excitations, as well as the boson occupancy near the edge for various states. The chiral Luttinger-liquid theory of Wen is found to be a good description of the edges of the bosonic Laughlin and other states identified as members of the principal Jain sequence for bosons. However, we find that in a harmonic trap the edge of the state identified as the Moore-Read (Pfaffian) state shows a number of anomalies. An experimental way of detecting these correlated states is also discussed.

TU Graz: Course: 707.000 Web Science and Web Technology: Lecture 3: Network Theory and Terminology

In this class, we will discuss network theory fundamentals, including concepts such as diameter, distance, clustering coefficient and others. We will also discuss different types of networks, such as scale-free networks, random networks etc. Readings: Graph structure in the Web, A. Broder and R. Kumar and F. Maghoul and P. Raghavan and S. Rajagopalan and R. Stata and A. Tomkins and J. Wiener Computer Networks 33 309--320 (2000) [Web link, Alternative Link] Optional: The Structure and Function of Complex Networks, M.E.J. Newman, SIAM Review 45 167--256 (2003) [Web link] Original course at: http://kmi.tugraz.at/staff/markus/courses/SS2008/707.000_web-science/

Exploring chromium (VI) dioxodihalides chemistry: is density functional theory the most suitable tool?

A comparative systematic study of the CrO2F2 compound has been performed using different conventional ab initio methodologies and density functional procedures. Two points have been analyzed: first, the accuracy of results yielded by each method under study, and second, the computational cost required to reach such results. Weighing up both aspects, density functional theory has been found to be more appropriate than the Hartree-Fock (HF) and the analyzed post-HF methods. Hence, the structural characterization and spectroscopic elucidation of the full CrO2X2 series (X=F,Cl,Br,I) has been done at this level of theory. Emphasis has been given to the unknown CrO2I2 species, and specially to the UV/visible spectra of all four compounds. Furthermore, a topological analysis in terms of charge density distributions has revealed why the valence shell electron pair repulsion model fails in predicting the molecular shape of such CrO2X2 complexes

Quantum similarity topological indices definition, analysis and comparison with classical molecular topological indices

Es mostra que, gracies a una extensió en la definició dels Índexs Moleculars Topològics, s'arriba a la formulació d'índexs relacionats amb la teoria de la Semblança Molecular Quàntica. Es posa de manifest la connexió entre les dues metodologies: es revela que un marc de treball teòric sòlidament fonamentat sobre la teoria de la Mecànica Quàntica es pot connectar amb una de les tècniques més antigues relacionades amb els estudis de QSPR. Es mostren els resultats per a dos casos d'exemple d'aplicació d'ambdues metodologies

Development of a semantic graph-based scene description

Software representations of scenes, i.e. the modelling of objects in space, are used in many application domains. Current modelling and scene description standards focus on visualisation dimensions, and are intrinsically limited by their dependence upon their semantic interpretation and contextual application by humans. In this paper we propose the need for an open, extensible and semantically rich modelling language, which facilitates a machine-readable semantic structure. We critically review existing standards and techniques, and highlight a need for a semantically focussed scene description language. Based on this defined need we propose a preliminary solution, based on hypergraph theory, and reflect on application domains.

Topological triangle characterization with application to object detection from images

A novel mathematical framework inspired on Morse Theory for topological triangle characterization in 2D meshes is introduced that is useful for applications involving the creation of mesh models of objects whose geometry is not known a priori. The framework guarantees a precise control of topological changes introduced as a result of triangle insertion/removal operations and enables the definition of intuitive high-level operators for managing the mesh while keeping its topological integrity. An application is described in the implementation of an innovative approach for the detection of 2D objects from images that integrates the topological control enabled by geometric modeling with traditional image processing techniques. (C) 2008 Published by Elsevier B.V.

Weak antilocalization in HgTe quantum wells near a topological transition

The anomalous alternating magnetoresistivity in HgTe quantum wells with thicknesses of 5.8 and 8.3 nm, i.e., near the transition from the direct band spectrum to an inverted spectrum, has been revealed and analyzed. It has been shown that the revealed anomalous alternating magnetoresistivity in wells with an inverted spectrum is well described by the theory developed by S.V. Iordanskii et al. [JETP Lett. 60, 206 (1994)] and W. Knap et al. [Phys. Rev. B 53, 3912 (1996)]. A detailed comparison of the experimental data with the theory indicates the presence of only the cubic term in the spin splitting of the electronic spectrum. The applicability conditions of the mentioned theory are not satisfied in a well with a direct gap and, for this reason, such a certain conclusion is impossible. The results indicate the existence of a strong spin-orbit interaction in symmetric HgTe quantum wells near the topological transition.

NIELSEN COINCIDENCE THEORY OF FIBRE-PRESERVING MAPS AND DOLD`S FIXED POINT INDEX

Let M -> B, N -> B be fibrations and f(1), f(2): M -> N be a pair of fibre-preserving maps. Using normal bordism techniques we define an invariant which is an obstruction to deforming the pair f(1), f(2) over B to a coincidence free pair of maps. In the special case where the two fibrations axe the same and one of the maps is the identity, a weak version of our omega-invariant turns out to equal Dold`s fixed point index of fibre-preserving maps. The concepts of Reidemeister classes and Nielsen coincidence classes over B are developed. As an illustration we compute e.g. the minimal number of coincidence components for all homotopy classes of maps between S(1)-bundles over S(1) as well as their Nielsen and Reidemeister numbers.

Equivariant Nielsen root theory for G-maps

Let X be a compact Hausdorff space, Y be a connected topological manifold, f : X -> Y be a map between closed manifolds and a is an element of Y. The vanishing of the Nielsen root number N(f; a) implies that f is homotopic to a root free map h, i.e., h similar to f and h(-1) (a) = empty set. In this paper, we prove an equivariant analog of this result for G-maps between G-spaces where G is a finite group. (C) 2010 Elsevier B.V. All rights reserved.

Designing Novel Antitrypanosomal Agents from a Mixed Graph-Theoretical Substructural Approach

Chagas disease is nowadays the most serious parasitic health problem. This disease is caused by Trypanosoma cruzi. The great number of deaths and the insufficient effectiveness of drugs against this parasite have alarmed the scientific community worldwide. In an attempt to overcome this problem, a model for the design and prediction of new antitrypanosomal agents was obtained. This used a mixed approach, containing simple descriptors based on fragments and topological substructural molecular design descriptors. A data set was made up of 188 compounds, 99 of them characterized an antitrypanosomal activity and 88 compounds that belong to other pharmaceutical categories. The model showed sensitivity, specificity and accuracy values above 85%. Quantitative fragmental contributions were also calculated. Then, and to confirm the quality of the model, 15 structures of molecules tested as antitrypanosomal compounds (that we did not include in this study) were predicted, taking into account the information on the abovementioned calculated fragmental contributions. The model showed an accuracy of 100% which means that the ""in silico"" methodology developed by our team is promising for the rational design of new antitrypanosomal drugs. (C) 2009 Wiley Periodicals, Inc. J Comput Chem 31: 882-894. 2010

Design of novel antituberculosis compounds using graph-theoretical and substructural approaches

The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldwide scientific community. In an attempt to overcome this problem, two models for the design and prediction of new antituberculosis agents were obtained. The first used a mixed approach, containing descriptors based on fragments and the topological substructural molecular design approach (TOPS-MODE) descriptors. The other model used a combination of two-dimensional (2D) and three-dimensional (3D) descriptors. A data set of 167 compounds with great structural variability, 72 of them antituberculosis agents and 95 compounds belonging to other pharmaceutical categories, was analyzed. The first model showed sensitivity, specificity, and accuracy values above 80% and the second one showed values higher than 75% for these statistical indices. Subsequently, 12 structures of imidazoles not included in this study were designed, taking into account the two models. In both cases accuracy was 100%, showing that the methodology in silico developed by us is promising for the rational design of antituberculosis drugs.

Infrared degrees of freedom of Yang-Mills theory in the Schrodinger representation

We set up a new calculational framework for the Yang-Mills vacuum transition amplitude in the Schrodinger representation. After integrating out hard-mode contributions perturbatively and performing a gauge-invariant gradient expansion of the ensuing soft-mode action, a manageable saddle-point expansion for the vacuum overlap can be formulated. In combination with the squeezed approximation to the vacuum wave functional this allows for an essentially analytical treatment of physical amplitudes. Moreover, it leads to the identification of dominant and gauge-invariant classes of gauge field orbits which play the role of gluonic infrared (IR) degrees of freedom. The latter emerge as a diverse set of saddle-point solutions and are represented by unitary matrix fields. We discuss their scale stability, the associated virial theorem and other general properties including topological quantum numbers and action bounds. We then find important saddle-point solutions (most of them solitons) explicitly and examine their physical impact. While some are related to tunneling solutions of the classical Yang-Mills equation, i.e. to instantons and merons, others appear to play unprecedented roles. A remarkable new class of IR degrees of freedom consists of Faddeev-Niemi type link and knot solutions, potentially related to glueballs.

Quadratic gravity in (2+1)D with a topological Chern-Simons term

Three-dimensional quadratic gravity, unlike general relativity in (2+1)D, is dynamically nontrivial and has a well behaved nonrelativistic potential. Here we analyse the changes that occur when a topological Chem-Simons term is added to this theory. It is found that the harmless massive scalar mode of the latter gives rise to a troublesome massive spin-0 ghost, while the massive spin-2 ghost is replaced by two massive physical particles both of spin 2. We also found that light deflection does not have the 'wrong sign' such as in the framework of three-dimensional quadratic gravity.