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

Soot formation and burnout in flames

The amount of soot formed when burning a benzene/hexane mixture in a turbulent combustor was examined. Soot concentration profiles in the same combustor for kerosene fuel are given. The chemistry of the formation of soot precursors, the nucleation, growth and subsequent burnout of soot particles, and the effect of mixing on the previous steps were considered

Lattice Models of Quantum Gravity

Standard Regge Calculus provides an interesting method to explore quantum gravity in a non-perturbative fashion but turns out to be a CPU-time demanding enterprise. One therefore seeks for suitable approximations which retain most of its universal features. The $Z_2$-Regge model could be such a desired simplification. Here the quadratic edge lengths $q$ of the simplicial complexes are restricted to only two possible values $q=1+\epsilon\sigma$, with $\sigma=\pm 1$, in close analogy to the ancestor of all lattice theories, the Ising model. To test whether this simpler model still contains the essential qualities of the standard Regge Calculus, we study both models in two dimensions and determine several observables on the same lattice size. In order to compare expectation values, e.g. of the average curvature or the Liouville field susceptibility, we employ in both models the same functional integration measure. The phase structure is under current investigation using mean field theory and numerical simulation.Comment: 4 pages, 1 figure

Computer-aided Melody Note Transcription Using the Tony Software: Accuracy and Efficiency

accepteddate-added: 2015-05-24 19:18:46 +0000 date-modified: 2017-12-28 10:36:36 +0000 keywords: Tony, melody, note, transcription, open source software bdsk-url-1: https://code.soundsoftware.ac.uk/attachments/download/1423/tony-paper_preprint.pdfdate-added: 2015-05-24 19:18:46 +0000 date-modified: 2017-12-28 10:36:36 +0000 keywords: Tony, melody, note, transcription, open source software bdsk-url-1: https://code.soundsoftware.ac.uk/attachments/download/1423/tony-paper_preprint.pdfWe present Tony, a software tool for the interactive an- notation of melodies from monophonic audio recordings, and evaluate its usability and the accuracy of its note extraction method. The scientific study of acoustic performances of melodies, whether sung or played, requires the accurate transcription of notes and pitches. To achieve the desired transcription accuracy for a particular application, researchers manually correct results obtained by automatic methods. Tony is an interactive tool directly aimed at making this correction task efficient. It provides (a) state-of-the art algorithms for pitch and note estimation, (b) visual and auditory feedback for easy error-spotting, (c) an intelligent graphical user interface through which the user can rapidly correct estimation errors, (d) extensive export functions enabling further processing in other applications. We show that Tony’s built in automatic note transcription method compares favourably with existing tools. We report how long it takes to annotate recordings on a set of 96 solo vocal recordings and study the effect of piece, the number of edits made and the annotator’s increasing mastery of the software. Tony is Open Source software, with source code and compiled binaries for Windows, Mac OS X and Linux available from https://code.soundsoftware.ac.uk/projects/tony/

Wigner surmise for Hermitian and non-Hermitian Chiral random matrices

We use the idea of a Wigner surmise to compute approximate distributions of the first eigenvalue in chiral Random Matrix Theory, for both real and complex eigenvalues. Testing against known results for zero and maximal non-Hermiticity in the microscopic large-N limit we find an excellent agreement, valid for a small number of exact zero-eigenvalues. New compact expressions are derived for real eigenvalues in the orthogonal and symplectic classes, and at intermediate non-Hermiticity for the unitary and symplectic classes. Such individual Dirac eigenvalue distributions are a useful tool in Lattice Gauge Theory and we illustrate this by showing that our new results can describe data from two-colour QCD simulations with chemical potential in the symplectic class