Statistical model identification : dynamical processes and large-scale networks in systems biology

Magdeburg, Univ., Fak. für Verfahrens- und Systemtechnik, Diss., 2014

Statistical model identification : dynamical processes and large-scale networks in systems biology

Magdeburg, Univ., Fak. für Verfahrens- und Systemtechnik, Diss., 2014

Selection theory of dendritic growth in complex systems

Magdeburg, Univ., Fak. für Naturwiss., Diss., 2015

KAM theory for conformally symplectic systems

We present a KAM theory for some dissipative systems (geometrically, these are conformally symplectic systems, i.e. systems that transform a symplectic form into a multiple of itself). For systems with n degrees of freedom depending on n parameters we show that it is possible to find solutions with n-dimensional (Diophantine) frequencies by adjusting the parameters. We do not assume that the system is close to integrable, but we use an a-posteriori format. Our unknowns are a parameterization of the solution and a parameter. We show that if there is a sufficiently approximate solution of the invariance equation, which also satisfies some explicit non–degeneracy conditions, then there is a true solution nearby. We present results both in Sobolev norms and in analytic norms. The a–posteriori format has several consequences: A) smooth dependence on the parameters, including the singular limit of zero dissipation; B) estimates on the measure of parameters covered by quasi–periodic solutions; C) convergence of perturbative expansions in analytic systems; D) bootstrap of regularity (i.e., that all tori which are smooth enough are analytic if the map is analytic); E) a numerically efficient criterion for the break–down of the quasi–periodic solutions. The proof is based on an iterative quadratically convergent method and on suitable estimates on the (analytical and Sobolev) norms of the approximate solution. The iterative step takes advantage of some geometric identities, which give a very useful coordinate system in the neighborhood of invariant (or approximately invariant) tori. This system of coordinates has several other uses: A) it shows that for dissipative conformally symplectic systems the quasi–periodic solutions are attractors, B) it leads to efficient algorithms, which have been implemented elsewhere. Details of the proof are given mainly for maps, but we also explain the slight modifications needed for flows and we devote the appendix to present explicit algorithms for flows.

Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems

The basis set superposition error-free second-order MØller-Plesset perturbation theory of intermolecular interactions was studied. The difficulties of the counterpoise (CP) correction in open-shell systems were also discussed. The calculations were performed by a program which was used for testing the new variants of the theory. It was shown that the CP correction for the diabatic surfaces should be preferred to the adiabatic ones

Canonical Noether symmetries and commutativity properties for gauge systems

For a dynamical system defined by a singular Lagrangian, canonical Noether symmetries are characterized in terms of their commutation relations with the evolution operators of Lagrangian and Hamiltonian formalisms. Separate characterizations are given in phase space, in velocity space, and through an evolution operator that links both spaces. 2000 American Institute of Physics.

Canonical transformations theory for presymplectic systems

We develop a theory of canonical transformations for presymplectic systems, reducing this concept to that of canonical transformations for regular coisotropic canonical systems. In this way we can also link these with the usual canonical transformations for the symplectic reduced phase space. Furthermore, the concept of a generating function arises in a natural way as well as that of gauge group.

Vacuum decay in quantum field theory

We study the contribution to vacuum decay in field theory due to the interaction between the long- and short-wavelength modes of the field. The field model considered consists of a scalar field of mass M with a cubic term in the potential. The dynamics of the long-wavelength modes becomes diffusive in this interaction. The diffusive behavior is described by the reduced Wigner function that characterizes the state of the long-wavelength modes. This function is obtained from the whole Wigner function by integration of the degrees of freedom of the short-wavelength modes. The dynamical equation for the reduced Wigner function becomes a kind of Fokker-Planck equation which is solved with suitable boundary conditions enforcing an initial metastable vacuum state trapped in the potential well. As a result a finite activation rate is found, even at zero temperature, for the formation of true vacuum bubbles of size M-1. This effect makes a substantial contribution to the total decay rate.

Interaccion among systems of finite size in predictive relativistic mechanics I. General framework

We derive a Hamiltonian formulation for the three-dimensional formalism of predictive relativistic mechanics. This Hamiltonian structure is used to derive a set of dynamical equations describing the interaction among systems in perturbation theory.

Extent and limitations of density functional theory in describing magnetic systems

The performance of density-functional theory to solve the exact, nonrelativistic, many-electron problem for magnetic systems has been explored in a new implementation imposing space and spin symmetry constraints, as in ab initio wave function theory. Calculations on selected systems representative of organic diradicals, molecular magnets and antiferromagnetic solids carried out with and without these constraints lead to contradictory results, which provide numerical illustration on this usually obviated problem. It is concluded that the present exchange-correlation functionals provide reasonable numerical results although for the wrong physical reasons, thus evidencing the need for continued search for more accurate expressions.

Extent and limitations of density functional theory in describing magnetic systems

The performance of density-functional theory to solve the exact, nonrelativistic, many-electron problem for magnetic systems has been explored in a new implementation imposing space and spin symmetry constraints, as in ab initio wave function theory. Calculations on selected systems representative of organic diradicals, molecular magnets and antiferromagnetic solids carried out with and without these constraints lead to contradictory results, which provide numerical illustration on this usually obviated problem. It is concluded that the present exchange-correlation functionals provide reasonable numerical results although for the wrong physical reasons, thus evidencing the need for continued search for more accurate expressions.

Lagrangian-Hamiltonian unified formalism for field theory

The RuskSkinner formalism was developed in order to give a geometrical unified formalism for describing mechanical systems. It incorporates all the characteristics of Lagrangian and Hamiltonian descriptions of these systems (including dynamical equations and solutions, constraints, Legendre map, evolution operators, equivalence, etc.). In this work we extend this unified framework to first-order classical field theories, and show how this description comprises the main features of the Lagrangian and Hamiltonian formalisms, both for the regular and singular cases. This formulation is a first step toward further applications in optimal control theory for partial differential equations. 2004 American Institute of Physics.

Non-Markovianity and Quantum Correlations in Qubit-Systems

In this Thesis I discuss the exact dynamics of simple non-Markovian systems. I focus on fundamental questions at the core of non-Markovian theory and investigate the dynamics of quantum correlations under non-Markovian decoherence. In the first context I present the connection between two different non-Markovian approaches, and compare two distinct definitions of non-Markovianity. The general aim is to characterize in exemplary cases which part of the environment is responsible for the feedback of information typical of non- Markovian dynamics. I also show how such a feedback of information is not always described by certain types of master equations commonly used to tackle non-Markovian dynamics. In the second context I characterize the dynamics of two qubits in a common non-Markovian reservoir, and introduce a new dynamical effect in a wellknown model, i.e., two qubits under depolarizing channels. In the first model the exact solution of the dynamics is found, and the entanglement behavior is extensively studied. The non-Markovianity of the reservoir and reservoirmediated-interaction between the qubits cause non-trivial dynamical features. The dynamical interplay between different types of correlations is also investigated. In the second model the study of quantum and classical correlations demonstrates the existence of a new effect: the sudden transition between classical and quantum decoherence. This phenomenon involves the complete preservation of the initial quantum correlations for long intervals of time of the order of the relaxation time of the system.

Dynamical aspects of coupled Rossler systems: effects of noise

Nonlinear time series analysis is employed to study the complex behaviour exhibited by a coupled pair of Rossler systems. Dimensional analysis with emphasis on the topological correlation dimension and the Kolmogorov entropy of the system is carried out in the coupling parameter space. The regime of phase synchronization is identified and the extent of synchronization between the systems constituting the coupled system is quantified by the phase synchronization index. The effect of noise on the coupling between the systems is also investigated. An exhaustive study of the topological, dynamical and synchronization properties of the nonlinear system under consideration in its characteristic parameter space is attempted.