Decoherent Histories and Non-adiabatic Quantum Molecular Dynamics

The role of quantum coherence loss in mixed quantum-classical dynamical systems is explored in the context of the theory of quantum decoherence introduced recently by Bittner and Rossky. (J. Chem. Phys. {\bf 103}, 8130 (1995)). This theory, which is based upon the consistent histories interpretation of quantum mechanics, introduces decoherence in the quantum subsystem by carefully considering the relevant time and length scales over which one must consider the effects of phase interference between alternative histories of the classical subsystem. Such alternative histories are an integral part of any quantum-classical computational scheme which employ transitions between discrete quantum states; consequently, the coherences between alternative histories have a profound effect on the transition probability between quantum states. In this paper, we review the Bittner-Rossky theory and detail a computational algorithm suitable for large-scale quantum molecular dynamics simulations which implements this theory. Application of the algorithm towards the relaxation of a photoexcited aqueous electron compare well to previous estimates of the excited state survival time as well as to the experimental measurements.Comment: 22 pages, 3 figure

An effective Hamiltonian approach for Donor-Bridge-Acceptor electronic transitions: Exploring the role of bath memory

We present here a formally exact model for electronic transitions between an initial (donor) and final (acceptor) states linked by an intermediate (bridge) state. Our model incorporates a common set of vibrational modes that are coupled to the donor, bridge, and acceptor states and serves as a dissipative bath that destroys quantum coherence between the donor and acceptor. Taking the memory time of the bath as a free parameter, we calculate transition rates for a heuristic 3-state/2 mode Hamiltonian system parameterized to represent the energetics and couplings in a typical organic photovoltaic system. Our results indicate that if the memory time of the bath is of the order of 10-100 fs, a two-state kinetic (i.e., incoherent hopping) model will grossly underestimate overall transition rate.Comment: 9 pages, 2 figure

Dimension-Based Subscription Pruning for Publish/Subscribe Systems

Subscription pruning has been proven as valuable routing optimization for Boolean subscriptions in publish/ subscribe systems. It aims at optimizing subscriptions independently of each other and is thus applicable for all kinds of subscriptions regardless of their individual and collective structures. The original subscription pruning approach tries to optimize the event routing process based on the expected increase in network load. However, a closer look at pruning-based routing reveals its further applicability to optimizations in respect to other dimensions. In this paper, we introduce and investigate subscription pruning based on three dimensions of optimization: network load, memory usage, and system throughput. We present the algorithms to perform prunings based on these dimensions and discuss the results of a series of practical experiments. Our analysis reveals the advantages and disadvantages of the different dimensions of optimization and allows conclusions about the suitability of dimension-based pruning for different application requirements

Two-colour Lattice QCD with dynamical fermions at non-zero density versus Matrix Models

We provide first evidence that Matrix Models describe the low lying complex Dirac eigenvalues in a theory with dynamical fermions at non-zero density. Lattice data for gauge group SU(2) with staggered fermions are compared to detailed analytical results from Matrix Models in the corresponding symmetry class, the complex chiral Symplectic Ensemble. They confirm the predicted dependence on chemical potential, quark mass and volume.Comment: 6 pages, 8 fig., talk given at Lattice 2005 (Finite Temperature and Density) Dublin and Extreme QCD Swanse

Arbitrary boolean advertisements: the final step in supporting the boolean publish/subscribe model

Publish/subscribe systems allow for an efficient filtering of incoming information. This filtering is based on the specifications of subscriber interests, which are registered with the system as subscriptions. Publishers conversely specify advertisements, describing the messages they will send later on. What is missing so far is the support of arbitrary Boolean advertisements in publish/subscribe systems. Introducing the opportunity to specify these richer Boolean advertisements increases the accuracy of publishers to state their future messages compared to currently supported conjunctive advertisements. Thus, the amount of subscriptions forwarded in the network is reduced. Additionally, the system can more time efficiently decide whether a subscription needs to be forwarded and more space efficiently store and index advertisements. In this paper, we introduce a publish/subscribe system that supports arbitrary Boolean advertisements and, symmetrically, arbitrary Boolean subscriptions. We show the advantages of supporting arbitrary Boolean advertisements and present an algorithm to calculate the practically required overlapping relationship among subscriptions and advertisements. Additionally, we develop the first optimization approach for arbitrary Boolean advertisements, advertisement pruning. Advertisement pruning is tailored to optimize advertisements, which is a strong contrast to current optimizations for conjunctive advertisements. These recent proposals mainly apply subscription-based optimization ideas, which is leading to the same disadvantages. In the second part of this paper, our evaluation of practical experiments, we analyze the efficiency properties of our approach to determine the overlapping relationship. We also compare conjunctive solutions for the overlapping problem to our calculation algorithm to show its benefits. Finally, we present a detailed evaluation of the optimization potential of advertisement pruning. This includes the analysis of the effects of additionally optimizing subscriptions on the advertisement pruning optimization

On the Benefits of Non-Canonical Filtering in Publish/Subscribe Systems

Current matching approaches in pub/sub systems only allow conjunctive subscriptions. Arbitrary subscriptions have to be transformed into canonical expressions, e.g., DNFs, and need to be treated as several conjunctive subscriptions. This technique is known from database systems and allows us to apply more efficient filtering algorithms. Since pub/sub systems are the contrary to traditional database systems, it is questionable if filtering several canonical subscriptions is the most efficient and scalable way of dealing with arbitrary subscriptions. In this paper we show that our filtering approach supporting arbitrary Boolean subscriptions is more scalable and efficient than current matching algorithms requiring transformations of subscriptions into DNFs