University of Paderborn

About: University of Paderborn is a education organization based out in Paderborn, Nordrhein-Westfalen, Germany. It is known for research contribution in the topics: Control reconfiguration & Software. The organization has 6684 authors who have published 16929 publications receiving 323154 citations.

Parameter Calibration of Transition-Metal Elements for the Spin-Polarized Self-Consistent-Charge Density-Functional Tight-Binding (DFTB) Method: Sc, Ti, Fe, Co, and Ni.

Abstract: Recently developed parameters for five first-row transition-metal elements (M = Sc, Ti, Fe, Co, and Ni) in combination with H, C, N, and O as well as the same metal (M−M) for the spin-polarized self-consistent-charge density-functional tight-binding (DFTB) method have been calibrated. To test their performance a couple sets of compounds have been selected to represent a variety of interactions and bonding schemes that occur frequently in transition-metal containing systems. The results show that the DFTB method with the present parameters in most cases reproduces structural properties very well, but the bond energies and the relative energies of different spin states only qualitatively compared to the B3LYP/SDD+6-31G(d) density functional (DFT) results. An application to the ONIOM(DFT:DFTB) indicates that DFTB works well as the low level method for the ONIOM calculation.

Exponentially Stable Stationary Solutions for Stochastic EvolutionEquations and Their Perturbation

Abstract: We consider the exponential stability of stochastic evolution equations with Lipschitz continuous non-linearities when zero is not a solution for these equations. We prove the existence of a non-trivial stationary solution which is exponentially stable, where the stationary solution is generated by the composition of a random variable and the Wiener shift. We also construct stationary solutions with the stronger property of attracting bounded sets uniformly. The existence of these stationary solutions follows from the theory of random dynamical systems and their attractors. In addition, we prove some perturbation results and formulate conditions for the existence of stationary solutions for semilinear stochastic partial differential equations with Lipschitz continuous non-linearities.

Linear Time 1/2-Approximation Algorithm for Maximum Weighted Matching in General Graphs

Abstract: A new approximation algorithm for maximum weighted matching in general edge-weighted graphs is presented. It calculates a matching with an edge weight of at least of the edge weight of a maximum weighted matching. Its time complexity is O(|E|), with |E| being the number of edges in the graph. This improves over the previously known -approximation algorithms for maximum weighted matching which require O(|E| log(|V|)) steps, where |V| is the number of vertices.