@misc{BorndoerferBuwayaSagnoletal.2014, author = {Bornd{\"o}rfer, Ralf and Buwaya, Julia and Sagnol, Guillaume and Swarat, Elmar}, title = {Network Spot Checking Games: Theory and Application to Toll Enforcing in Transportation Networks}, issn = {1438-0064}, doi = {10.1002/net.21596}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-47139}, year = {2014}, abstract = {We introduce the class of spot-checking games (SC games). These games model problems where the goal is to distribute fare inspectors over a toll network. In an SC game, the pure strategies of network users correspond to paths in a graph, and the pure strategies of the inspectors are subset of edges to be controlled. Although SC games are not zero-sum, we show that a Nash equilibrium can be computed by linear programming. The computation of a strong Stackelberg equilibrium is more relevant for this problem, but we show that this is NP-hard. However, we give some bounds on the \emph{price of spite}, which measures how the payoff of the inspector degrades when committing to a Nash equilibrium. Finally, we demonstrate the quality of these bounds for a real-world application, namely the enforcement of a truck toll on German motorways.}, language = {en} } @misc{BorndoerferKarbstein2014, author = {Bornd{\"o}rfer, Ralf and Karbstein, Marika}, title = {Metric Inequalities for Routings on Direct Connections}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-44219}, year = {2014}, abstract = {We consider multi-commodity flow problems in which capacities are installed on paths. In this setting, it is often important to distinguish between flows on direct connection routes, using single paths, and flows that include path switching. We show that the concept of metric inequalities to characterize capacities that support a multi-commodity flow can be generalized to deal with direct connections.}, language = {en} } @misc{VincensWittHomberg2014, author = {Vincens, Eric and Witt, Karl Josef and Homberg, Ulrike}, title = {Approaches to Determine the Constriction Size Distribution for Understanding Filtration Phenomena in Granular Materials}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-43960}, year = {2014}, abstract = {Granular filters in hydraulically loaded earth structures constitute the ultimate barrier for the blockage of small particles moving through the structure regularly or along concentrated leaks. If filters are inefficient to block small particles several types of internal erosion may be initiated. A corresponding phenomenon appears during suffusion in a wide graded hydraulically loaded fill, when fine particles, embedded in the pore structure of a soil skeleton, are washed out. The cumulative constriction size distribution (CSD) is physically the key property that qualifies the soils retention capability as like a spatial acting sieve. Constrictions are defined as the narrowest sections of channels between larger volumes (pores) within the pore network of granular material and they are the main obstacles for a small particle to overcome when flowing along pathways. At least three different approaches are available to determine and compute the CSD, i.e. experimental, numerical and analytical methods. The purpose of this review is to present and discuss these methods pointing out their limits, advantages and significance related to internal erosion phenomena.}, language = {en} } @misc{SchuetteNielsenWeber2014, author = {Sch{\"u}tte, Christof and Nielsen, Adam and Weber, Marcus}, title = {Markov State Models and Molecular Alchemy}, issn = {1438-0064}, doi = {10.1080/00268976.2014.944597}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-46718}, year = {2014}, abstract = {In recent years Markov State Models (MSMs) have attracted a consid- erable amount of attention with regard to modelling conformation changes and associated function of biomolecular systems. They have been used successfully, e.g., for peptides including time-resolved spectroscopic ex- periments, protein function and protein folding , DNA and RNA, and ligand-receptor interaction in drug design and more complicated multi- valent scenarios. In this article a novel reweighting scheme is introduced that allows to construct an MSM for certain molecular system out of an MSM for a similar system. This permits studying how molecular proper- ties on long timescales differ between similar molecular systems without performing full molecular dynamics simulations for each system under con- sideration. The performance of the reweighting scheme is illustrated for simple test cases including one where the main wells of the respective en- ergy landscapes are located differently and an alchemical transformation of butane to pentane where the dimension of the state space is changed.}, language = {en} }