Delta(1232) isobar excitations in nuclear many-body systems from varios NN interactions.

Delta isobar components in the nuclear many-body wave function are investigated for the deuteron, light nuclei (16O), and infinite nuclear matter within the framework of the coupled-cluster theory. The predictions derived for various realistic models of the baryon-baryon interaction are compared to each other. These include local (V28) and nonlocal meson exchange potentials (Bonn2000) but also a model recently derived by the Salamanca group accounting for quark degrees of freedom. The characteristic differences which are obtained for the NDelta and Delta Delta correlation functions are related to the approximation made in deriving the matrix elements for the baryon-baryon interaction.

Average ground-state energy of finite Fermi systems

Semiclassical theories such as the Thomas-Fermi and Wigner-Kirkwood methods give a good description of the smooth average part of the total energy of a Fermi gas in some external potential when the chemical potential is varied. However, in systems with a fixed number of particles N, these methods overbind the actual average of the quantum energy as N is varied. We describe a theory that accounts for this effect. Numerical illustrations are discussed for fermions trapped in a harmonic oscillator potential and in a hard-wall cavity, and for self-consistent calculations of atomic nuclei. In the latter case, the influence of deformations on the average behavior of the energy is also considered.

On Vessiot's Theory of Partial Differential Equations

The object of research presented here is Vessiot's theory of partial differential equations: for a given differential equation one constructs a distribution both tangential to the differential equation and contained within the contact distribution of the jet bundle. Then within it, one seeks n-dimensional subdistributions which are transversal to the base manifold, the integral distributions. These consist of integral elements, and these again shall be adapted so that they make a subdistribution which closes under the Lie-bracket. This then is called a flat Vessiot connection. Solutions to the differential equation may be regarded as integral manifolds of these distributions. In the first part of the thesis, I give a survey of the present state of the formal theory of partial differential equations: one regards differential equations as fibred submanifolds in a suitable jet bundle and considers formal integrability and the stronger notion of involutivity of differential equations for analyzing their solvability. An arbitrary system may (locally) be represented in reduced Cartan normal form. This leads to a natural description of its geometric symbol. The Vessiot distribution now can be split into the direct sum of the symbol and a horizontal complement (which is not unique). The n-dimensional subdistributions which close under the Lie bracket and are transversal to the base manifold are the sought tangential approximations for the solutions of the differential equation. It is now possible to show their existence by analyzing the structure equations. Vessiot's theory is now based on a rigorous foundation. Furthermore, the relation between Vessiot's approach and the crucial notions of the formal theory (like formal integrability and involutivity of differential equations) is clarified. The possible obstructions to involution of a differential equation are deduced explicitly. In the second part of the thesis it is shown that Vessiot's approach for the construction of the wanted distributions step by step succeeds if, and only if, the given system is involutive. Firstly, an existence theorem for integral distributions is proven. Then an existence theorem for flat Vessiot connections is shown. The differential-geometric structure of the basic systems is analyzed and simplified, as compared to those of other approaches, in particular the structure equations which are considered for the proofs of the existence theorems: here, they are a set of linear equations and an involutive system of differential equations. The definition of integral elements given here links Vessiot theory and the dual Cartan-Kähler theory of exterior systems. The analysis of the structure equations not only yields theoretical insight but also produces an algorithm which can be used to derive the coefficients of the vector fields, which span the integral distributions, explicitly. Therefore implementing the algorithm in the computer algebra system MuPAD now is possible.

Image compression predicated on recurrent iterated function systems

Recurrent iterated function systems (RIFSs) are improvements of iterated function systems (IFSs) using elements of the theory of Marcovian stochastic processes which can produce more natural looking images. We construct new RIFSs consisting substantially of a vertical contraction factor function and nonlinear transformations. These RIFSs are applied to image compression.

Acquiring expert knowledge for the design of conceptual information systems

Conceptual Information Systems unfold the conceptual structure of data stored in relational databases. In the design phase of the system, conceptual hierarchies have to be created which describe different aspects of the data. In this paper, we describe two principal ways of designing such conceptual hierarchies, data driven design and theory driven design and discuss advantages and drawbacks. The central part of the paper shows how Attribute Exploration, a knowledge acquisition tool developped by B. Ganter can be applied for narrowing the gap between both approaches.

Theory of laser-induced ultrafast structural changes in solids

The present thesis is a contribution to the study of laser-solid interaction. Despite the numerous applications resulting from the recent use of laser technology, there is still a lack of satisfactory answers to theoretical questions regarding the mechanism leading to the structural changes induced by femtosecond lasers in materials. We provide here theoretical approaches for the description of the structural response of different solids (cerium, samarium sulfide, bismuth and germanium) to femtosecond laser excitation. Particular interest is given to the description of the effects of the laser pulse on the electronic systems and changes of the potential energy surface for the ions. Although the general approach of laser-excited solids remains the same, the potential energy surface which drives the structural changes is calculated with different theoretical models for each material. This is due to the difference of the electronic properties of the studied systems. We use the Falicov model combined with an hydrodynamic method to study photoinduced phase changes in cerium. The local density approximation (LDA) together with the Hubbard-type Hamiltonian (LDA+U) in the framework of density functional theory (DFT) is used to describe the structural properties of samarium sulfide. We parametrize the time-dependent potential energy surface (calculated using DFT+ LDA) of bismuth on which we perform quantum dynamical simulations to study the experimentally observed amplitude collapse and revival of coherent $A_{1g}$ phonons. On the basis of a time-dependent potential energy surface calculated from a non-orthogonal tight binding Hamiltonian, we perform molecular dynamics simulation to analyze the time evolution (coherent phonons, ultrafast nonthermal melting) of germanium under laser excitation. The thermodynamic equilibrium properties of germanium are also reported. With the obtained results we are able to give many clarifications and interpretations of experimental results and also make predictions.

Decision‐Making in Public Good Dilemmas: Theory and Agent‐Based Simulation

In many real world contexts individuals find themselves in situations where they have to decide between options of behaviour that serve a collective purpose or behaviours which satisfy one’s private interests, ignoring the collective. In some cases the underlying social dilemma (Dawes, 1980) is solved and we observe collective action (Olson, 1965). In others social mobilisation is unsuccessful. The central topic of social dilemma research is the identification and understanding of mechanisms which yield to the observed cooperation and therefore resolve the social dilemma. It is the purpose of this thesis to contribute this research field for the case of public good dilemmas. To do so, existing work that is relevant to this problem domain is reviewed and a set of mandatory requirements is derived which guide theory and method development of the thesis. In particular, the thesis focusses on dynamic processes of social mobilisation which can foster or inhibit collective action. The basic understanding is that success or failure of the required process of social mobilisation is determined by heterogeneous individual preferences of the members of a providing group, the social structure in which the acting individuals are contained, and the embedding of the individuals in economic, political, biophysical, or other external contexts. To account for these aspects and for the involved dynamics the methodical approach of the thesis is computer simulation, in particular agent-based modelling and simulation of social systems. Particularly conductive are agent models which ground the simulation of human behaviour in suitable psychological theories of action. The thesis develops the action theory HAPPenInGS (Heterogeneous Agents Providing Public Goods) and demonstrates its embedding into different agent-based simulations. The thesis substantiates the particular added value of the methodical approach: Starting out from a theory of individual behaviour, in simulations the emergence of collective patterns of behaviour becomes observable. In addition, the underlying collective dynamics may be scrutinised and assessed by scenario analysis. The results of such experiments reveal insights on processes of social mobilisation which go beyond classical empirical approaches and yield policy recommendations on promising intervention measures in particular.

Systems of Parallel Communicating Restarting Automata

In der vorliegenden Dissertation werden Systeme von parallel arbeitenden und miteinander kommunizierenden Restart-Automaten (engl.: systems of parallel communicating restarting automata; abgekürzt PCRA-Systeme) vorgestellt und untersucht. Dabei werden zwei bekannte Konzepte aus den Bereichen Formale Sprachen und Automatentheorie miteinander vescrknüpft: das Modell der Restart-Automaten und die sogenannten PC-Systeme (systems of parallel communicating components). Ein PCRA-System besteht aus endlich vielen Restart-Automaten, welche einerseits parallel und unabhängig voneinander lokale Berechnungen durchführen und andererseits miteinander kommunizieren dürfen. Die Kommunikation erfolgt dabei durch ein festgelegtes Kommunikationsprotokoll, das mithilfe von speziellen Kommunikationszuständen realisiert wird. Ein wesentliches Merkmal hinsichtlich der Kommunikationsstruktur in Systemen von miteinander kooperierenden Komponenten ist, ob die Kommunikation zentralisiert oder nichtzentralisiert erfolgt. Während in einer nichtzentralisierten Kommunikationsstruktur jede Komponente mit jeder anderen Komponente kommunizieren darf, findet jegliche Kommunikation innerhalb einer zentralisierten Kommunikationsstruktur ausschließlich mit einer ausgewählten Master-Komponente statt. Eines der wichtigsten Resultate dieser Arbeit zeigt, dass zentralisierte Systeme und nichtzentralisierte Systeme die gleiche Berechnungsstärke besitzen (das ist im Allgemeinen bei PC-Systemen nicht so). Darüber hinaus bewirkt auch die Verwendung von Multicast- oder Broadcast-Kommunikationsansätzen neben Punkt-zu-Punkt-Kommunikationen keine Erhöhung der Berechnungsstärke. Desweiteren wird die Ausdrucksstärke von PCRA-Systemen untersucht und mit der von PC-Systemen von endlichen Automaten und mit der von Mehrkopfautomaten verglichen. PC-Systeme von endlichen Automaten besitzen bekanntermaßen die gleiche Ausdrucksstärke wie Einwegmehrkopfautomaten und bilden eine untere Schranke für die Ausdrucksstärke von PCRA-Systemen mit Einwegkomponenten. Tatsächlich sind PCRA-Systeme auch dann stärker als PC-Systeme von endlichen Automaten, wenn die Komponenten für sich genommen die gleiche Ausdrucksstärke besitzen, also die regulären Sprachen charakterisieren. Für PCRA-Systeme mit Zweiwegekomponenten werden als untere Schranke die Sprachklassen der Zweiwegemehrkopfautomaten im deterministischen und im nichtdeterministischen Fall gezeigt, welche wiederum den bekannten Komplexitätsklassen L (deterministisch logarithmischer Platz) und NL (nichtdeterministisch logarithmischer Platz) entsprechen. Als obere Schranke wird die Klasse der kontextsensitiven Sprachen gezeigt. Außerdem werden Erweiterungen von Restart-Automaten betrachtet (nonforgetting-Eigenschaft, shrinking-Eigenschaft), welche bei einzelnen Komponenten eine Erhöhung der Berechnungsstärke bewirken, in Systemen jedoch deren Stärke nicht erhöhen. Die von PCRA-Systemen charakterisierten Sprachklassen sind unter diversen Sprachoperationen abgeschlossen und einige Sprachklassen sind sogar abstrakte Sprachfamilien (sogenannte AFL's). Abschließend werden für PCRA-Systeme spezifische Probleme auf ihre Entscheidbarkeit hin untersucht. Es wird gezeigt, dass Leerheit, Universalität, Inklusion, Gleichheit und Endlichkeit bereits für Systeme mit zwei Restart-Automaten des schwächsten Typs nicht semientscheidbar sind. Für das Wortproblem wird gezeigt, dass es im deterministischen Fall in quadratischer Zeit und im nichtdeterministischen Fall in exponentieller Zeit entscheidbar ist.

Optimal control theory for a unitary operation under dissipative evolution

We show that optimizing a quantum gate for an open quantum system requires the time evolution of only three states irrespective of the dimension of Hilbert space. This represents a significant reduction in computational resources compared to the complete basis of Liouville space that is commonly believed necessary for this task. The reduction is based on two observations: the target is not a general dynamical map but a unitary operation; and the time evolution of two properly chosen states is sufficient to distinguish any two unitaries. We illustrate gate optimization employing a reduced set of states for a controlled phasegate with trapped atoms as qubit carriers and a iSWAP gate with superconducting qubits.

Optimizing Robust Quantum Gates in Open Quantum Systems

We are currently at the cusp of a revolution in quantum technology that relies not just on the passive use of quantum effects, but on their active control. At the forefront of this revolution is the implementation of a quantum computer. Encoding information in quantum states as “qubits” allows to use entanglement and quantum superposition to perform calculations that are infeasible on classical computers. The fundamental challenge in the realization of quantum computers is to avoid decoherence – the loss of quantum properties – due to unwanted interaction with the environment. This thesis addresses the problem of implementing entangling two-qubit quantum gates that are robust with respect to both decoherence and classical noise. It covers three aspects: the use of efficient numerical tools for the simulation and optimal control of open and closed quantum systems, the role of advanced optimization functionals in facilitating robustness, and the application of these techniques to two of the leading implementations of quantum computation, trapped atoms and superconducting circuits. After a review of the theoretical and numerical foundations, the central part of the thesis starts with the idea of using ensemble optimization to achieve robustness with respect to both classical fluctuations in the system parameters, and decoherence. For the example of a controlled phasegate implemented with trapped Rydberg atoms, this approach is demonstrated to yield a gate that is at least one order of magnitude more robust than the best known analytic scheme. Moreover this robustness is maintained even for gate durations significantly shorter than those obtained in the analytic scheme. Superconducting circuits are a particularly promising architecture for the implementation of a quantum computer. Their flexibility is demonstrated by performing optimizations for both diagonal and non-diagonal quantum gates. In order to achieve robustness with respect to decoherence, it is essential to implement quantum gates in the shortest possible amount of time. This may be facilitated by using an optimization functional that targets an arbitrary perfect entangler, based on a geometric theory of two-qubit gates. For the example of superconducting qubits, it is shown that this approach leads to significantly shorter gate durations, higher fidelities, and faster convergence than the optimization towards specific two-qubit gates. Performing optimization in Liouville space in order to properly take into account decoherence poses significant numerical challenges, as the dimension scales quadratically compared to Hilbert space. However, it can be shown that for a unitary target, the optimization only requires propagation of at most three states, instead of a full basis of Liouville space. Both for the example of trapped Rydberg atoms, and for superconducting qubits, the successful optimization of quantum gates is demonstrated, at a significantly reduced numerical cost than was previously thought possible. Together, the results of this thesis point towards a comprehensive framework for the optimization of robust quantum gates, paving the way for the future realization of quantum computers.

Efficient Characterisation and Optimal Control of Open Quantum Systems - Mathematical Foundations and Physical Applications

Since no physical system can ever be completely isolated from its environment, the study of open quantum systems is pivotal to reliably and accurately control complex quantum systems. In practice, reliability of the control field needs to be confirmed via certification of the target evolution while accuracy requires the derivation of high-fidelity control schemes in the presence of decoherence. In the first part of this thesis an algebraic framework is presented that allows to determine the minimal requirements on the unique characterisation of arbitrary unitary gates in open quantum systems, independent on the particular physical implementation of the employed quantum device. To this end, a set of theorems is devised that can be used to assess whether a given set of input states on a quantum channel is sufficient to judge whether a desired unitary gate is realised. This allows to determine the minimal input for such a task, which proves to be, quite remarkably, independent of system size. These results allow to elucidate the fundamental limits regarding certification and tomography of open quantum systems. The combination of these insights with state-of-the-art Monte Carlo process certification techniques permits a significant improvement of the scaling when certifying arbitrary unitary gates. This improvement is not only restricted to quantum information devices where the basic information carrier is the qubit but it also extends to systems where the fundamental informational entities can be of arbitary dimensionality, the so-called qudits. The second part of this thesis concerns the impact of these findings from the point of view of Optimal Control Theory (OCT). OCT for quantum systems utilises concepts from engineering such as feedback and optimisation to engineer constructive and destructive interferences in order to steer a physical process in a desired direction. It turns out that the aforementioned mathematical findings allow to deduce novel optimisation functionals that significantly reduce not only the required memory for numerical control algorithms but also the total CPU time required to obtain a certain fidelity for the optimised process. The thesis concludes by discussing two problems of fundamental interest in quantum information processing from the point of view of optimal control - the preparation of pure states and the implementation of unitary gates in open quantum systems. For both cases specific physical examples are considered: for the former the vibrational cooling of molecules via optical pumping and for the latter a superconducting phase qudit implementation. In particular, it is illustrated how features of the environment can be exploited to reach the desired targets.

A Theory of Quantitative Inference Applied to a Mechanical Design Compiler

This thesis presents the ideas underlying a computer program that takes as input a schematic of a mechanical or hydraulic power transmission system, plus specifications and a utility function, and returns catalog numbers from predefined catalogs for the optimal selection of components implementing the design. Unlike programs for designing single components or systems, the program provides the designer with a high level "language" in which to compose new designs. It then performs some of the detailed design process. The process of "compilation" is based on a formalization of quantitative inferences about hierarchically organized sets of artifacts and operating conditions. This allows the design compilation without the exhaustive enumeration of alternatives.

Protein Microarray: "Theory" to "Real Practice"

Fueled by ever-growing genomic information and rapid developments of proteomics–the large scale analysis of proteins and mapping its functional role has become one of the most important disciplines for characterizing complex cell function. For building functional linkages between the biomolecules, and for providing insight into the mechanisms of biological processes, last decade witnessed the exploration of combinatorial and chip technology for the detection of bimolecules in a high throughput and spatially addressable fashion. Among the various techniques developed, the protein chip technology has been rapid. Recently we demonstrated a new platform called “Spacially addressable protein array” (SAPA) to profile the ligand receptor interactions. To optimize the platform, the present study investigated various parameters such as the surface chemistry and role of additives for achieving high density and high-throughput detection with minimal nonspecific protein adsorption. In summary the present poster will address some of the critical challenges in protein micro array technology and the process of fine tuning to achieve the optimum system for solving real biological problems.

Compositional evolution with mass transfer in closed systems

Evolution of compositions in time, space, temperature or other covariates is frequent in practice. For instance, the radioactive decomposition of a sample changes its composition with time. Some of the involved isotopes decompose into other isotopes of the sample, thus producing a transfer of mass from some components to other ones, but preserving the total mass present in the system. This evolution is traditionally modelled as a system of ordinary di erential equations of the mass of each component. However, this kind of evolution can be decomposed into a compositional change, expressed in terms of simplicial derivatives, and a mass evolution (constant in this example). A rst result is that the simplicial system of di erential equations is non-linear, despite of some subcompositions behaving linearly. The goal is to study the characteristics of such simplicial systems of di erential equa- tions such as linearity and stability. This is performed extracting the compositional dif ferential equations from the mass equations. Then, simplicial derivatives are expressed in coordinates of the simplex, thus reducing the problem to the standard theory of systems of di erential equations, including stability. The characterisation of stability of these non-linear systems relays on the linearisation of the system of di erential equations at the stationary point, if any. The eigenvelues of the linearised matrix and the associated behaviour of the orbits are the main tools. For a three component system, these orbits can be plotted both in coordinates of the simplex or in a ternary diagram. A characterisation of processes with transfer of mass in closed systems in terms of stability is thus concluded. Two examples are presented for illustration, one of them is a radioactive decay

Application for fault location in electrical power distribution systems

Fault location has been studied deeply for transmission lines due to its importance in power systems. Nowadays the problem of fault location on distribution systems is receiving special attention mainly because of the power quality regulations. In this context, this paper presents an application software developed in Matlabtrade that automatically calculates the location of a fault in a distribution power system, starting from voltages and currents measured at the line terminal and the model of the distribution power system data. The application is based on a N-ary tree structure, which is suitable to be used in this application due to the highly branched and the non- homogeneity nature of the distribution systems, and has been developed for single-phase, two-phase, two-phase-to-ground, and three-phase faults. The implemented application is tested by using fault data in a real electrical distribution power system