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9,200
Harmonic analysis of random number generators and multiplicative groups of residue class rings
physics.comp-ph
The spectral test of random number generators (R.R. Coveyou and R.D. McPherson, 1967) is generalized. The sequence of random numbers is analyzed explicitly not just via their n-tupel distributions. The generalized analysis of many generators becomes possible due to a theorem on the harmonic analysis of multiplicative g...
physics
9,201
Harmonic analysis of random number generators
physics.comp-ph
The spectral test of random number generators (R.R. Coveyou and R.D. McPherson, 1967) is generalized. The sequence of random numbers is analyzed explicitly, not just via their n-tupel distributions. We find that the mixed multiplicative generator with power of two modulus does not pass the extended test with an ideal r...
physics
9,202
A Fast Algorithm for High-Dimensional Markov Processes with Finite Sets of Transition Rates
physics.comp-ph
The discrete class algorithm presented in this paper is an efficient simulation tool for stochastic processes governed by a reasonably small set of transition rates. The algorithm is presented, its performance compared to prevailing methods and applications to epitaxial growth and neuronal models are sketched. Source...
physics
9,203
Simultaneously Dissipative Operators And The Infinitesimal Moore Effect In Interval Spaces
physics.comp-ph
One of shortcomings of stepwise interval methods is the following. The intervals determining the solution of a system are often expanded in the course of time irrespective of the method and step used (the {\em Moore effect}). We introduce the notion of general {\em interval spaces} and study the infinitesimal Moore eff...
physics
9,204
K-system generator of pseudorandom numbers on Galois field
physics.comp-ph
We analyze the structure of the periodic trajectories of the K-system generator of pseudorandom numbers on rational sublattice which coincides with the Galois field. The period of the trajectories increases as a function of lattice size and the dimension of the K-matrix. We emphasize the connection of this approach wit...
physics
9,205
Modeling Metallic Microstructure Using Moving Finite Elements
physics.comp-ph
We present an efficient method for anealing 3d metallic grains using Gradient Weighted Moving Finite Elements (GWMFE). The initial grain microstructure is generated from Monte-Carlo evolution of a an effective discrete model on the initial (frozen) unstructured grid generated for the external geometry of the GWMFE calc...
physics
9,206
Hurst's Rescaled Range Statistical Analysis for Pseudorandom Number Generators used in Physical Simulations
physics.comp-ph
The rescaled range statistical analysis (R/S) is proposed as a new method to detect correlations in pseudorandom number generators used in Monte Carlo simulations. In an extensive test it is demonstrated that the RS analysis provides a very sensitive method to reveal hidden long run and short run correlations. Several ...
physics
9,207
Monte Carlo Simulation of Comptonization in Inhomogeneous Media
physics.comp-ph
Comptonization is the process in which photon spectrum changes due to multiple Compton scatterings in the electronic plasma. It plays an important role in the spectral formation of astrophysical X-ray and gamma-ray sources. There are several intrinsic limitations for the analytical method in dealing with the Comptoniza...
physics
9,208
Parallelization of adaptive MC Integrators
physics.comp-ph
Monte Carlo (MC) methods for numerical integration seem to be embarassingly parallel on first sight. When adaptive schemes are applied in order to enhance convergence however, the seemingly most natural way of replicating the whole job on each processor can potentially ruin the adaptive behaviour. Using the popular VEG...
physics
9,209
The 3-dimensional Fourier grid Hamiltonian method
physics.comp-ph
A method to compute the bound state eigenvalues and eigenfunctions of a Schr\"{o}dinger equation or a spinless Salpeter equation with central interaction is presented. This method is the generalization to the three-dimensional case of the Fourier grid Hamiltonian method for one-dimensional Schr\"{o}dinger equation. It ...
physics
9,210
The Anderson model of localization: a challenge for modern eigenvalue methods
physics.comp-ph
We present a comparative study of the application of modern eigenvalue algorithms to an eigenvalue problem arising in quantum physics, namely, the computation of a few interior eigenvalues and their associated eigenvectors for the large, sparse, real, symmetric, and indefinite matrices of the Anderson model of localiza...
physics
9,211
A Lanczos algorithm for linear response
physics.comp-ph
An iterative algorithm is presented for solving the RPA equations of linear response. The method optimally computes the energy-weighted moments of the strength function, allowing one to match the computational effort to the intrinsic accuracy of the basic mean-field approximation, avoiding the problem of solving very l...
physics
9,212
The solution of multi-scale partial differential equations using wavelets
physics.comp-ph
Wavelets are a powerful new mathematical tool which offers the possibility to treat in a natural way quantities characterized by several length scales. In this article we will show how wavelets can be used to solve partial differential equations which exhibit widely varying length scales and which are therefore hardly ...
physics
9,213
Encryption with Delayed Dynamics
physics.comp-ph
We propose here a new model of encryption of binary data taking advantage of the complexity associated with delayed dynamics. In this scheme, the encryption process is a coupling dynamics with various time delays between different bits in the original data. It is shown that decoding of the encrypted data is extremely d...
physics
9,214
Partial level densities for nuclear data calculations
physics.comp-ph
The main formalisms of partial level densities (PLD) used in preequilibrium nuclear reaction models, based on the equidistant spacing model (ESM), are considered. A collection of FORTRAN77 functions for PLD calculation by using 14 formalisms for the related partial-state densities is provided and 28 sample cases (73 ve...
physics
9,215
A natural orbital functional for the many-electron problem
physics.comp-ph
The exchange-correlation energy in Kohn-Sham density functional theory is expressed as a functional of the electronic density and the Kohn-Sham orbitals. An alternative to Kohn-Sham theory is to express the energy as a functional of the reduced first-order density matrix or equivalently the natural orbitals. In the for...
physics
9,216
Growth Models And The Question Of Universality Classes
physics.comp-ph
In the past many papers have appeared which simulated surface growth with different growth models. The results showed that, if models differed only slightly in their `growth' rules, the resulting surfaces may belong to different universality classes, i.e. they are described by different differential equations. In the p...
physics
9,217
Numerical Evidence for Divergent Burnett Coefficients
physics.comp-ph
In previous papers [Phys. Rev. A {\bf 41}, 4501 (1990), Phys. Rev. E {\bf 18}, 3178 (1993)], simple equilibrium expressions were obtained for nonlinear Burnett coefficients. A preliminary calculation of a 32 particle Lennard-Jones fluid was presented in the previous paper. Now, sufficient resources have become availabl...
physics
9,218
The lid method for exhaustive exploration of metastable states of complex systems
physics.comp-ph
The `lid' algorithm performs an exhaustive exploration of neighborhoods of local energy minima of energy landscapes. This paper describes an implementation of the algorithm, including issues of parallel performance and scalability. To illustrate the versatility of the approach and to stress the common features present ...
physics
9,219
Novel Reconstruction mechanisms: A comparison between group-III-nitrides and "traditional" III-V-semiconductors
physics.comp-ph
We have studied the driving forces governing reconstructions on polar GaN surfaces employing first-principles total-energy calculations. Our results reveal properties not observed for other semiconductors, as for example a strong tendency to stabilize Ga-rich surfaces. This mechanism is shown to have important conseque...
physics
9,220
Regular order reductions of ordinary and delay-differential equations
physics.comp-ph
We present a C program to compute by successive approximations the regular order reduction of a large class of ordinary differential equations, which includes evolution equations in electrodynamics and gravitation. The code may also find the regular order reduction of delay-differential equations.
physics
9,221
One class of integrals evaluation in magnet solitons theory
physics.comp-ph
An analytical-numeric calculation method of extremely complicated integrals is presented. These integrals appear often in magnet soliton theory. The appropriate analytical continuation and a corresponding integration contour allow to reduce the calculation of wide class of integrals to a numeric search of integrand den...
physics
9,222
Algorithm for numerical integration of the rigid-body equations of motion
physics.comp-ph
A new algorithm for numerical integration of the rigid-body equations of motion is proposed. The algorithm uses the leapfrog scheme and the quantities involved are angular velocities and orientational variables which can be expressed in terms of either principal axes or quaternions. Due to specific features of the algo...
physics
9,223
X-Ray Diffraction by Time-Dependent Deformed Crystals: Theoretical Model and Numerical Analysis
physics.comp-ph
The objective of this article is to study the behavior of electromagnetic field under X-ray diffraction by time-dependent deformed crystals. Derived system of differential equations looks like the Takagi equations in the case of non-stationary crystals. This is a system of multidimensional first-order hyperbolic equati...
physics
9,224
A Stochastic Tunneling Approach for Global Minimization of Complex Potential Energy Landscapes
physics.comp-ph
We investigate a novel stochastic technique for the global optimization of complex potential energy surfaces (PES) that avoids the freezing problem of simulated annealing by allowing the dynamical process to tunnel energetically inaccessible regions of the PES by way of a dynamically adjusted nonlinear transformation o...
physics
9,225
A New Technique for Sampling Multi-Modal Distributions
physics.comp-ph
In this paper we demonstrate that multi-modal Probability Distribution Functions (PDFs) may be efficiently sampled using an algorithm originally developed for numerical integrations by Monte-Carlo methods. This algorithm can be used to generate an input PDF which can be used as an independence sampler in a Metropolis-H...
physics
9,226
The recursive adaptive quadrature in MS Fortran-77
physics.comp-ph
It is shown that MS Fortran-77 compilers allow to construct recursive subroutines. The recursive one-dimensional adaptive quadrature subroutine is considered in particular. Despite its extremely short body (only eleven executable statements) the subroutine proved to be very effective and competitive. It was tested on v...
physics
9,227
An Explicit Space-time Adaptive Method for Simulating Complex Cardiac Dynamics
physics.comp-ph
For plane-wave and many-spiral states of the experimentally based Luo-Rudy 1 model of heart tissue in large (8 cm square) domains, we show that an explicit space-time-adaptive time-integration algorithm can achieve an order of magnitude reduction in computational effort and memory - but without a reduction in accuracy ...
physics
9,228
The Reason for the Efficiency of the Pian-Sumihara Basis
physics.comp-ph
A logical explanation as to why the choice of the Pian-Sumihara basis (as a linear basis to approximate stress) leads to greater efficiency in enhanced strain problems, is presented. An Airy stress function and the consequent selective simplification resulting from the differentiation of an implied, single, parent appr...
physics
9,229
Two-Particle Schroedinger Equation Animations of Wavepacket-Wavepacket Scattering (revised)
physics.comp-ph
A simple and explicit technique for the numerical solution of the two-particle, time-dependent Schr\"{o}dinger equation is assembled and tested. The technique can handle interparticle potentials that are arbitrary functions of the coordinates of each particle, arbitrary initial and boundary conditions, and multi-dimens...
physics
9,230
An improved Rosenbluth Monte Carlo scheme for cluster counting and lattice animal enumeration
physics.comp-ph
We describe an algorithm for the Rosenbluth Monte Carlo enumeration of clusters and lattice animals. The method may also be used to calculate associated properties such as moments or perimeter multiplicities of the clusters. The new scheme is an extension of the Rosenbluth method for growing polymer chains and is a sim...
physics
9,231
A Monte Carlo code for full simulation of a transition radiation detector
physics.comp-ph
A full simulation of a transition radiation detector (TRD) based on the GEANT, GARFIELD, MAGBOLTZ and HEED codes has been developed. This simulation can be used to study and develop TRD for high energy particle identification using either the cluster counting or the total charge measurement method. In this article it w...
physics
9,232
A Second-Order Stochastic Leap-Frog Algorithm for Multiplicative Noise Brownian Motion
physics.comp-ph
A stochastic leap-frog algorithm for the numerical integration of Brownian motion stochastic differential equations with multiplicative noise is proposed and tested. The algorithm has a second-order convergence of moments in a finite time interval and requires the sampling of only one uniformly distributed random varia...
physics
9,233
Comparision of direct and Fourier space techniques in time-dependent density functional theory
physics.comp-ph
Several techniques have appeared in the literatuare to solve the equations of time-dependent density functional theory. We compare the efficiency of different methods based on mesh representations of the wave function (direct and Fourier space), taking as a test case the calculation of the surface plasmon in the cluste...
physics
9,234
Efficient Methods for Handling Long-Range Forces in Particle-Particle Simulations
physics.comp-ph
A number of problems arise when long-range forces, such as those governed by Bessel functions, are used in particle-particle simulations. If a simple cut-off for the interaction is used, the system may find an equilibrium configuration at zero temperature that is not a regular lattice yet has an energy lower than the t...
physics
9,235
A unified approach for the solution of the Fokker-Planck equation
physics.comp-ph
This paper explores the use of a discrete singular convolution algorithm as a unified approach for numerical integration of the Fokker-Planck equation. The unified features of the discrete singular convolution algorithm are discussed. It is demonstrated that different implementations of the present algorithm, such as g...
physics
9,236
Resampling Method For Unsupervised Estimation Of Cluster Validity
physics.comp-ph
We introduce a method for validation of results obtained by clustering analysis of data. The method is based on resampling the available data. A figure of merit that measures the stability of clustering solutions against resampling is introduced. Clusters which are stable against resampling give rise to local maxima of...
physics
9,237
Improved efficiency with variational Monte Carlo using two level sampling
physics.comp-ph
A two level sampling method is applied to variational Monte Carlo (VMC) that samples the one and two body parts of the wave function separately. The method is demonstrated on a single Li_2 molecule in free space and 32 H_2 molecules in a periodic box. This simple modification increases the efficiency of a VMC simulatio...
physics
9,238
Suggestion for a Fast Heuristic for the Hamiltonian Cycle Problem
physics.comp-ph
Some years ago I demonstrated a simulated annealing heuristic for the Hamiltonian cycle problem (Science 273, 413 (1996)). Here I propose an improved version of this heuristic.
physics
9,239
A Generator of Protein Folding Kinetics States for the Diffusion-Collision Model
physics.comp-ph
Two separate algorithms for calculating the intermediate states, using cellular automata and the initial conditions in the rate matrix for the diffusion-collision model are introduced. They enable easy and fast calculations of the folding probabilities of the intermediate states, even for a very large number of microdo...
physics
9,240
Complex Scaling of the Faddeev Equations
physics.comp-ph
In this work we compare two different approaches to calculation of the three-body resonances on the basis of Faddeev differential equations. The first one is the complex scaling approach. The second method is based on an immediate calculation of resonances as zeros of the three-body scattering matrix continued to the p...
physics
9,241
Solution of Poisson's equation for finite systems using plane wave methods
physics.comp-ph
Reciprocal space methods for solving Poisson's equation for finite charge distributions are investigated. Improvements to previous proposals are presented, and their performance is compared in the context of a real-space density functional theory code. Two basic methodologies are followed: calculation of correction ter...
physics
9,242
Quasilinearization Approach to Nonlinear Problems in Physics with Application to Nonlinear ODEs
physics.comp-ph
The general conditions under which the quadratic, uniform and monotonic convergence in the quasilinearization method of solving nonlinear ordinary differential equations could be proved are formulated and elaborated. The generalization of the proof to partial differential equations is straight forward. The method, whos...
physics
9,243
Implementation of analytical Hartree-Fock gradients for periodic systems
physics.comp-ph
We describe the implementation of analytical Hartree-Fock gradients for periodic systems in the code CRYSTAL, emphasizing the technical aspects of this task. The code is now capable of calculating analytical derivatives with respect to nuclear coordinates for systems periodic in 0, 1, 2 and 3 dimensions (i.e. molecules...
physics
9,244
Molecular dynamics simulation for pressure-induced structural transition from C$_{60}$ fullerene into amorphous diamond
physics.comp-ph
The pressure-induced structural transition in fcc C$_{60}$ fullerene by shock compression and rapid quenching is investigated by a semi-empirical tight-binding molecular dynamics simulation, adopting a constant-pressure scheme and a method of the order N electronic structure calculation. At first, the process of the am...
physics
9,245
A Note on Symplectic Algorithms
physics.comp-ph
We present the symplectic algorithm in the Lagrangian formalism for the Hamiltonian systems by virtue of the noncommutative differential calculus with respect to the discrete time and the Euler--Lagrange cohomological concepts. We also show that the trapezoidal integrator is symplectic in certain sense.
physics
9,246
Topologically Modulated Signals and Predicate Gates For Their Processing
physics.comp-ph
In the paper electromagnetic signals distinguished by their discrete modulation of spatial distributions of fields and amplitudes are considered. Amplitudes of the impulses play a role of predicates and discrete spatial distributions of fields serve as predicate variables. Designed electronic gates are different by par...
physics
9,247
A guided Monte Carlo method for optimization problems
physics.comp-ph
We introduce a new Monte Carlo method by incorporating a guided distribution function to the conventional Monte Carlo method. In this way, the efficiency of Monte Carlo methods is drastically improved. To further speed up the algorithm, we include two more ingredients into the algorithm. First, we freeze the sub-patter...
physics
9,248
An efficient k.p method for calculation of total energy and electronic density of states
physics.comp-ph
An efficient method for calculating the electronic structure in large systems with a fully converged BZ sampling is presented. The method is based on a k.p-like approximation developed in the framework of the density functional perturbation theory. The reliability and efficiency of the method are demostrated in test ca...
physics
9,249
Quasilinearization approach to quantum mechanics
physics.comp-ph
The quasilinearization method (QLM) of solving nonlinear differential equations is applied to the quantum mechanics by casting the Schr\"{o}dinger equation in the nonlinear Riccati form. The method, whose mathematical basis in physics was discussed recently by one of the present authors (VBM), approaches the solution o...
physics
9,250
Quantization of energy and writhe in self-repelling knots
physics.comp-ph
Probably the most natural energy functional to be considered for knotted strings is the one given by the electrostatic repulsion. In the absence of counter-charges, a charged, knotted string evolving along the energy gradient of electrostatic repulsion would progressively tighten its knotted domain into a point on a pe...
physics
9,251
Implementation of the Hough Transform for 3D Track Reconstruction in Drift Chambers
physics.comp-ph
The paper is devoted to the method for 3D reconstruction of the straight tracks in the tracking system consisting of the drift-chamber stereo layers. The method is based on the Hough-transform approach - the discrete case of more general Radon transform - and takes into account both coordinates of the hit wires and dri...
physics
9,252
Foam: A General-Purpose Cellular Monte Carlo Event Generator
physics.comp-ph
A general purpose, self-adapting, Monte Carlo (MC) event generator (simulator) is described. The high efficiency of the MC, that is small maximum weight or variance of the MC weight is achieved by means of dividing the integration domain into small cells. The cells can be $n$-dimensional simplices, hyperrectangles or C...
physics
9,253
The Heterogeneous Multi-Scale Method
physics.comp-ph
The heterogeneous multi-scale method (HMM) is a general strategy for dealing with problems involving multi-scales, with multi-physics, using multi-grids. It not only unifies several existing multi-scale methods, but also provide a methodology for designing new algorithms for new applications. In this paper, we review t...
physics
9,254
KANGA(ROO): Handling the micro-DST of the BaBar Experiment with ROOT
physics.comp-ph
A system based on ROOT for handling the micro-DST of the BaBar experiment is described. The purpose of the Kanga system is to have micro-DST data available in a format well suited for data distribution within a world-wide collaboration with many small sites. The design requirements, implementation and experience in pra...
physics
9,255
Implementation of Liu's procedure in Mathematica for use in Relativistic Constitutive Theory
physics.comp-ph
The aim of this article is to show, how computer algebra can be used when applying Liu's procedure. Although Mathematica (a commercial product by Wolfram Research Inc.) is used, it is possible to use other computer algebra systems as well.
physics
9,256
Solving the Maxwell equations by the Chebyshev method: A one-step finite-difference time-domain algorithm
physics.comp-ph
We present a one-step algorithm that solves the Maxwell equations for systems with spatially varying permittivity and permeability by the Chebyshev method. We demonstrate that this algorithm may be orders of magnitude more efficient than current finite-difference time-domain algorithms.
physics
9,257
Methods for parallel simulations of surface reactions
physics.comp-ph
We study the opportunities for parallelism for the simulation of surface reactions. We introduce the concept of a partition and we give new simulation methods based on Cellular Automaton using partitions. We elaborate on the advantages and disadvantages of the derived algorithms comparing with Dynamic Monte Carlo algor...
physics
9,258
Geometric Random Inner Products: A New Family of Tests for Random Number Generators
physics.comp-ph
We present a new computational scheme, GRIP (Geometric Random Inner Products), for testing the quality of random number generators. The GRIP formalism utilizes geometric probability techniques to calculate the average scalar products of random vectors generated in geometric objects, such as circles and spheres. We show...
physics
9,259
Combining multigrid and wavelet ideas to construct more efficient multiscale algorithms for the solution of Poisson's equation
physics.comp-ph
It is shown how various ideas that are well established for the solution of Poisson's equation using plane wave and multigrid methods can be combined with wavelet concepts. The combination of wavelet concepts and multigrid techniques turns out to be particularly fruitful. We propose a modified multigrid V cycle scheme ...
physics
9,260
Equation-Free Multiscale Computation: enabling microscopic simulators to perform system-level tasks
physics.comp-ph
We present and discuss a framework for computer-aided multiscale analysis, which enables models at a "fine" (microscopic/stochastic) level of description to perform modeling tasks at a "coarse" (macroscopic, systems) level. These macroscopic modeling tasks, yielding information over long time and large space scales, ar...
physics
9,261
Foam: A General purpose Monte Carlo Cellular Algorithm
physics.comp-ph
A general-purpose, self-adapting Monte Carlo (MC) algorithm implemented in the program {\tt Foam} is described. The high efficiency of the MC, that is small maximum weight or variance of the MC weight is achieved by means of dividing the integration domain into small cells. The cells can be $n$-dimensional simplices, h...
physics
9,262
XrdML, a new way to store (and exchange) X-ray powder diffraction measurement data
physics.comp-ph
Recently PANalytical introduced the XrdML file format as a new data platform for powder diffraction experiments. We will explain why an industrial standard (XML) was chosen and show the XML schema used to precisely describe the instrumental and experimental conditions. This schema is used to validate the contents of th...
physics
9,263
A Novel Scaled Boundary Finite Element Method in Computational Electromagnetics
physics.comp-ph
A Novel Scaled boundary finite element method, initially developed in Civil Engineering, is reformulated for solving boundary value problems in computational electromagnetics.
physics
9,264
Divergence Condition for the novel Scaled Boundary Finite Element Method in Computational Electromagnetics
physics.comp-ph
The divergence condition is reformulated in the scaled boundary coordinates so as to prevent the spurious solutions in the finite element formulation.
physics
9,265
Application of the Covariant projection finite elements in the E field formulation for wave guide analysis
physics.comp-ph
The use of covariant projection finite elements in the efficient 3-D vector finite element analysis of wave guide is presented.
physics
9,266
SINGINT: Automatic numerical integration of singular integrands
physics.comp-ph
We explore the combination of deterministic and Monte Carlo methods to facilitate efficient automatic numerical computation of multidimensional integrals with singular integrands. Two adaptive algorithms are presented that employ recursion and are runtime and memory optimised, respectively. SINGINT, a C implementation ...
physics
9,267
Boundary processing for Monte Carlo Simulations in the Gap-Tooth Scheme
physics.comp-ph
This note reports on a scheme for interpolating the boundary conditions be- tween non-adjacent modeling regions when the model is based on Monte-Carlo computations of a collection of particles. The scheme conserves particles in a natural way, and thereby can be made to conserve other quantities.
physics
9,268
Deciding the Nature of the "Coarse Equation" through Microscopic Simulations: the Baby-Bathwater Scheme
physics.comp-ph
Recent developments in multiscale computation allow the solution of ``coarse equations'' for the expected macroscopic behavior of microscopically/stochastically evolving particle distributions without ever obtaining these coarse equations in closed form. The closure is obtained ``on demand'' through appropriately initi...
physics
9,269
Two-dimensional projections of an hypercube
physics.comp-ph
We present a method to project a hypercube of arbitrary dimension on the plane, in such a way as to preserve, as well as possible, the distribution of distances between vertices. The method relies on a Montecarlo optimization procedure that minimizes the squared difference between distances in the plane and in the hype...
physics
9,270
Morphology of the universal function for the critical circle map
physics.comp-ph
We describe the morphology of the universal function for the critical (cubic) circle map at the golden mean, paying particular attention to the birth of inflection points and their reproduction. In this way one can fully understand its intricacies.
physics
9,271
Dynamics and Topological Aspects of a Reconstructed Two-Dimensional Foam Time Series Using Potts Model on a Pinned Lattice
physics.comp-ph
We discuss a method to reconstruct an approximate two-dimensional foam structure from an incomplete image using the extended Potts mode with a pinned lattice we introduced in a previous paper. The initial information consists of the positions of the vertices only. We locate the centers of the bubbles using the Euclidea...
physics
9,272
Lyapunov exponents in constrained and unconstrained ordinary differential equations
physics.comp-ph
We discuss several numerical methods for calculating Lyapunov exponents (a quantitative measure of chaos) in systems of ordinary differential equations. We pay particular attention to constrained systems, and we introduce a variety of techniques to address the complications introduced by constraints. For all cases cons...
physics
9,273
Energy minimization using Sobolev gradients: application to phase separation and ordering
physics.comp-ph
A common problem in physics and engineering is the calculation of the minima of energy functionals. The theory of Sobolev gradients provides an efficient method for seeking the critical points of such a functional. We apply the method to functionals describing coarse-grained Ginzburg-Landau models commonly used in patt...
physics
9,274
Global Stationary Phase and the Sign Problem
physics.comp-ph
We present a computational strategy for reducing the sign problem in the evaluation of high dimensional integrals with non-positive definite weights. The method involves stochastic sampling with a positive semidefinite weight that is adaptively and optimally determined during the course of a simulation. The optimal cri...
physics
9,275
Quantum signatures in laser-driven relativistic multiple-scattering
physics.comp-ph
The dynamics of an electronic Dirac wave packet evolving under the influence of an ultra-intense laser pulse and an ensemble of highly charged ions is investigated numerically. Special emphasis is placed on the evolution of quantum signatures from single to multiple scattering events. We quantify the occurrence of quan...
physics
9,276
Software Scalability Issues in Large Clusters
physics.comp-ph
The rapid development of large clusters built with commodity hardware has highlighted scalability issues with deploying and effectively running system software in large clusters. We describe here our experiences with monitoring, image distribution, batch and other system administration software tools within the 1000+ n...
physics
9,277
The GRID and the Linux Farm at the RCF
physics.comp-ph
The emergence of the GRID architecture and related tools will have a large impact in the operation and design of present and future large clusters. We present here the ongoing efforts to equip the Linux Farm at the RHIC Computing Facility with Grid-like capabilities.
physics
9,278
HEP Applications on the Grid Canada Testbed
physics.comp-ph
A Grid testbed has been established using resources at 12 sites across Canada involving researchers from particle physics as well as other fields of science. We describe our use of the testbed with the BaBar Monte Carlo production and the ATLAS data challenge software. In each case the remote sites have no application-...
physics
9,279
Computational Techniques for Simulating Light Propagation in High-Energy Neutrino Telescopes
physics.comp-ph
To maximize the accuracy of background simulation and event reconstruction, high-energy neutrino telescopes require detailed knowledge of light propagation over a large volume of detection medium. If light scattering and absorption leng ths in the medium are of the same scale as the detector size, this problem can only...
physics
9,280
New vertex reconstruction algorithms for CMS
physics.comp-ph
The reconstruction of interaction vertices can be decomposed into a pattern recognition problem (``vertex finding'') and a statistical problem (``vertex fitting''). We briefly review classical methods. We introduce novel approaches and motivate them in the framework of high-luminosity experiments like at the LHC. We th...
physics
9,281
Atlas Data-Challenge 1 on NorduGrid
physics.comp-ph
The first LHC application ever to be executed in a computational Grid environment is the so-called ATLAS Data-Challenge 1, more specifically, the part assigned to the Scandinavian members of the ATLAS Collaboration. Taking advantage of the NorduGrid testbed and tools, physicists from Denmark, Norway and Sweden were abl...
physics
9,282
Java Physics Generator and Analysis Modules
physics.comp-ph
A Java software framework allows modules written in different languages to be used in a high level Object-Oriented (OO) environment. Java Native Interfaces (JNI) for Linear Collider (LC) physics event generators are used in defining a common generator interface package. Portable-JNI for TESLA and Asian JLC detector sim...
physics
9,283
Running CMS software on GRID Testbeds
physics.comp-ph
Starting in the middle of November 2002, the CMS experiment undertook an evaluation of the European DataGrid Project (EDG) middleware using its event simulation programs. A joint CMS-EDG task force performed a "stress test" by submitting a large number of jobs to many distributed sites. The EDG testbed was complemented...
physics
9,284
FAMOS: A Dynamically Configurable System for Fast Simulation and Reconstruction for CMS
physics.comp-ph
Detailed detector simulation and reconstruction of physics objects at the LHC are very CPU intensive and hence time consuming due to the high energy and multiplicity of the Monte-Carlo events and the complexity of the detectors. We present a dynamically configurable system for fast Monte-Carlo simulation and reconstruc...
physics
9,285
The CDF Data Handling System
physics.comp-ph
The Collider Detector at Fermilab (CDF) records proton-antiproton collisions at center of mass energy of 2.0 TeV at the Tevatron collider. A new collider run, Run II, of the Tevatron started in April 2001. Increased luminosity will result in about 1~PB of data recorded on tapes in the next two years. Currently the CDF ...
physics
9,286
Development of an Interface for Using EGS4 Physics Processes in Geant4
physics.comp-ph
As simulation system, the variety of physics processes implemented is one of the most important functionalities. In that sense, Geant4 is one of the most powerful simulation toolkits. Its flexibility and expansibility brought by object-oriented approach make it possible for us to easily assimilate external simulation p...
physics
9,287
Use of the European Data Grid software in the framework of the BaBar distributed computing model
physics.comp-ph
We present an evaluation of the European Data Grid software in the framework of the BaBar experiment. Two kinds of applications have been considered: first, a typical data analysis on real data producing physics n-tuples, and second, a distributed Monte-Carlo production on a computational grid. Both applications will b...
physics
9,288
The POOL Data Storage, Cache and Conversion Mechanism
physics.comp-ph
The POOL data storage mechanism is intended to satisfy the needs of the LHC experiments to store and analyze the data from the detector response of particle collisions at the LHC proton-proton collider. Both the data rate and the data volumes will largely differ from the past experience. The POOL data storage mechanism...
physics
9,289
Lattice QCD Calculations on Commodity Clusters at DESY
physics.comp-ph
Lattice Gauge Theory is an integral part of particle physics that requires high performance computing in the multi-Tflops regime. These requirements are motivated by the rich research program and the physics milestones to be reached by the lattice community. Over the last years the enormous gains in processor performan...
physics
9,290
Simulation in ALICE
physics.comp-ph
ALICE, the experiment dedicated to the study of heavy ion collisions at the LHC, uses an object-oriented framework for simulation, reconstruction and analysis (AliRoot) based on ROOT. Here, we describe the general ALICE simulation strategy and those components of the framework related to simulation. Two main requiremen...
physics
9,291
A New Implementation of the Region of Interest Strategy for the ATLAS Second Level Trigger
physics.comp-ph
Among the many challenges presented by the future ATLAS detector at the LHC are the high data taking rate and volume and the derivation of a rapid trigger decision with limited resources. To address this challenge within the ATLAS second level trigger system, a Region-of-Interest mechanism has been adopted which dramat...
physics
9,292
AliEn - EDG Interoperability in ALICE
physics.comp-ph
AliEn (ALICE Environment) is a GRID-like system for large scale job submission and distributed data management developed and used in the context of ALICE, the CERN LHC heavy-ion experiment. With the aim of exploiting upcoming Grid resources to run AliEn-managed jobs and store the produced data, the problem of AliEn-EDG...
physics
9,293
Event Data Definition in LHCb
physics.comp-ph
We present the approach used for defining the event object model for the LHCb experiment. This approach is based on a high level modelling language, which is independent of the programming language used in the current implementation of the event data processing software. The different possibilities of object modelling ...
physics
9,294
Magda - Manager for grid-based data
physics.comp-ph
Magda is a distributed data manager prototype for grid-resident data. It makes use of the MySQL open source relational database, Perl, Java and C++ to provide file cataloging, retrieval and replication services. For data movement, gridFTP, bbftp and scp can be chosen depending on available protocols. Third party transf...
physics
9,295
The BTeV Software Tutorial Suite
physics.comp-ph
The BTeV Collaboration is starting to develop its C++ based offline software suite, an integral part of which is a series of tutorials. These tutorials are targeted at a diverse audience, including new graduate students, experienced physicists with little or no C++ experience, those with just enough C++ to be dangerous...
physics
9,296
Securing a HENP Computing Facility
physics.comp-ph
Traditionally, HENP computing facilities have been open facilities that are accessed in many different ways by users that are both internal and external to the facility. However, the need to protect the facility from cybersecurity threats has made it difficult to maintain the openness of the facility to off-site and on...
physics
9,297
Interfacing the JQMD and JAM Nuclear Reaction Codes to Geant4
physics.comp-ph
Geant4 is a toolkit for the simulation of the passage of particles through matter. It provides a comprehensive set of tools for geometry, tracking, detector response, run, event and track management, visualization and user interfaces. Geant4 also has an abundant set of physics models that handle the diverse interaction...
physics
9,298
Grid Based Monitoring on the Rutgers CDF Analysis Farm
physics.comp-ph
Run II at the Fermilab Tevatron Collider started in March 2001, and it will continue probing the high energy frontier in particle physics until the start of the LHC at CERN. The CDF collaboration at Fermilab has already stored 260 TB of data and expects to store 1PB of data in the next two years. The HEXCAF computing f...
physics
9,299
Use of a Generic Identification Scheme Connecting Events and Detector Description in the ATLAS Experiment
physics.comp-ph
High energy physics detectors can be described hierarchically from the different subsystems to their divisions in r, phi, theta and to the individual readout channels. An identification schema that follows the logical decomposition of the ATLAS detector has been introduced allowing identification of individual readout ...
physics