Andreas Kühn

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When a disaster occurs, the rapid gathering and sharing of crucial information among public safety agencies, emergency response units, and the public can save lives and reduce the scope of the problem; yet, this is seldom achieved. The lack of interoperability hinders effective collaboration across organizational and jurisdictional boundaries. In this(More)
We present a parallel implementation of second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation (RI-MP2). The implementation is based on a recent improved sequential implementation of RI-MP2 within the Turbomole program package and employs the message passing interface (MPI) standard for communication between(More)
The quantitative analysis of protein mixtures is pivotal for the understanding of variations in the proteome of living systems. Therefore, approaches have been recently devised that generally allow the relative quantitative analysis of peptides and proteins. Here we present proof of concept of the new metal-coded affinity tag (MeCAT) technique, which(More)
The focus of this paper is to establish a link of dynamic structures as found in software-based systems function descriptions to hardware implementations. Specific properties of object-oriented software methodologies and partially re-configurable FPGAs are first analyzed. Then, both a re-configurable processing unit and an approach how to map object classes(More)
Second harmonic generation hyperpolarizabilities and their geometric derivatives have been calculated for HF, HCl, CO, and LiF, using the coupled cluster hierarchies, CCS, CC2, CCSD, CC3, and large correlation-consistent basis sets. The full configuration interaction results have been used to test the accuracy of the coupled cluster results. The CCS and CC2(More)
The structural processes leading to dual fluorescence of 4-(dimethylamino)benzonitrile in the gas phase and in acetonitrile solvent were investigated using a combination of multireference configuration interaction (MRCI) and the second-order algebraic diagrammatic construction (ADC(2)) methods. Solvent effects were included on the basis of the(More)
— Garbage-Collection for reconfigurable hardware systems is another step to make dynamic reconfigurable hardware usable. By now, dynamic reconfiguration of FPGAs is still based on common hardware design concepts. This work describes a garbage-collector implementation for a reconfigurable hardware system, as part of a more dynamic hardware design concept. In(More)
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