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Large-scale ab initio configuration interaction calculations for light nuclei

Journal of Physics: Conference Series 2012年第1期403卷 1-10页

作者： Maris, Pieter Potter, Hugh Vary, James P Aktulga, H Metin Ng, Esmond G Yang, Chao Caprio, Mark A Çatalyürek, Ümit V Oryspayev, Dossay Saule, Erik Sosonkina, Masha Zhou, Zheng Department of Physics and Astronomy Iowa State University Ames IA 50011 USA Computational Research Div Lawrence Berkeley National Lab Berkeley CA 94720 USA Department of Physics University of Notre Dame Notre Dame IN 46556 USA Department of Biomedical Informatics The Ohio State University Columbus OH 43210 USA Department of Electrical and Computer Engineering The Ohio State University Columbus OH 43210 USA Department of Electrical and Computer Engineering Iowa State University Ames IA 50011 USA Department of Biomedical Informatics The Ohio State University Columbus OH 43210 USA Department of Modeling Simulation and Visualization Eng. Old Dominion University Norfolk VA 23529 USA and Ames Laboratory Ames IA 50011 USA School of Computer Wuhan University People's Republic of China

In ab-initio Configuration Interaction calculations, the nuclear wavefunction is expanded in Slater determinants of single-nucleon wavefunctions and the many-body Schrodinger equation becomes a large sparse matrix problem. The challenge is to reach numerical convergence to within quantified numerical uncertainties for physical observables using finite truncations of the infinite-dimensional basis space. We discuss strategies for constructing and solving the resulting large sparse matrix eigenvalue problems on current multicore computer architectures. Several of these strategies have been implemented in the code MFDn, a hybrid MPI/OpenMP Fortran code for ab-initio nuclear structure calculations that can scale to 100,000 cores and more. Finally, we will conclude with some recent results for 12C including emerging collective phenomena such as rotational band structures using SRG evolved chiral N3LO interactions.

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Multiple Vehicles License Plate Tracking and Recognition via Isotropic Dilation

Multiple Vehicles License Plate Tracking and Recognition via...

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International Conference on computational Intelligence, Communication Systems and Networks, CICSYN

作者： Lorita Angeline Wei Leong Khong Farrah Wong Ismail Saad Kenneth Tze Kin Teo Modeling Simulation and Computational Algorithm Laboratory School of Engineering and Information Technology Universiti Malaysia Sabah Kota Kinabalu Malaysia

In this paper, a new algorithm for Automatic License Plate Localisation and Recognition (ALPR) is proposed on the basis of isotropic dilation that can be achieved using the binary image Euclidean distance transform. In a blob analysis problem, any two Region of Interest (RoIs) that is discontinuous are typically treated as separate blobs. However, the proposed algorithm combine with Connected Component Analysis (CCA) are coded to seek for RoI within a certain distance of other RoI to be treated as non-unique. This paper investigates the design and implementation of several pre-processing techniques and isotropic dilation algorithm to classify moving vehicles with different backgrounds and varying angles. A multi-layer feed-forward back-propagation Neural Network is used to train the segmented and refined characters. The results obtained can be used for implementation in the vehicle parking management system.

关键词： Licenses Vehicles Image segmentation Character recognition Algorithm design and analysis Feature extraction Image edge detection

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Adaptive Tracking of Overlapping Vehicles Via Markov Chain Monte Carlo with CUSUM Path Plot Algorithm

Adaptive Tracking of Overlapping Vehicles Via Markov Chain M...

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International Conference on computational Intelligence, Communication Systems and Networks, CICSYN

作者： Wei Yeang Kow Wei Leong Khong Farrah Wong Ismail Saad Kenneth Tze Kin Teo Modeling Simulation and Computational Algorithm Laboratory School of Engineering and Information Technology Universiti Malaysia Sabah Kota Kinabalu Malaysia

Vehicle detection and tracking is essential in traffic surveillance and traffic flow optimization. However, occlusion or overlapped vehicle tracking is difficult and remain a challenging research topic in image processing. In this paper, a conventional Markov Chain Monte Carlo (MCMC) is enhanced via Cumulative Sum (CUSUM) path plot in order to track vehicles in overlapping situation. By calculating the hairiness of CUSUM path plot, MCMC can be diagnosed as converged based on its sampling outputs. Varying sample size of MCMC provides enhancement to the tracking performance and capability of overcoming the limitation of conventional fix sample size algorithm. In addition, implementation of m-th order prior probability distribution and fusion of color and edge distance likelihood have further improved the tracking accuracy. MCMC with fixed sample size and CUSUM path plot are implemented and their corresponding performances are analyzed. Experimental results show that MCMC with CUSUM path plot has better performance where it is able to track the overlapped vehicle accurately with lesser processing time.

关键词： Vehicles Markov processes Image color analysis Silicon Monte Carlo methods Accuracy Proposals

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Maximum Power Point Tracking for PV Array Under Partially Shaded Conditions

Maximum Power Point Tracking for PV Array Under Partially Sh...

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International Conference on computational Intelligence, Communication Systems and Networks, CICSYN

作者： Chia Seet Chin Prabhakaran Neelakantan Hou Pin Yoong Soo Siang Yang Kenneth Tze Kin Teo Modeling Simulation and Computational Algorithm Laboratory School of Engineering and Information Technology Universiti Malaysia Sabah Kota Kinabalu Malaysia

Solar photovoltaic (PV) array which is exposed to the uniform solar irradiance shows the non-linear P-V characteristic. Nevertheless, the P-V characteristic becomes more complex with multiple maximum power point (MPP) when the array is operated under partially shaded condition. Conventional maximum power point tracking (MPPT) approach which is designed to track the MPP will be trapped at the local MPP. Therefore, one of the challenges is to continuously track the absolute MPP while the environmental factors such as solar irradiation, PV temperature and partial shaded condition are rapidly changing. This paper presents a novel method of parallel tracking function to assist the on-line fuzzy logic perturb and observe (P&O) MPPT to continuously search beyond the trapped MPP operating voltage point. The information of PV array such as the operating voltage and the corresponding generation current are stored in the database. The characteristics of the shaded array can be estimated via simulation and the absolute MPP is identified via the tracking function. The simulation results show that the enhanced fuzzy logic P&O MPPT is capable of tracking the real absolute MPP during the partially shaded condition.

关键词： Arrays Photovoltaic cells Fuzzy logic Mathematical model Voltage control Semiconductor diodes Power generation

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Enhancement of Particle Filter Approach for Vehicle Tracking Via Adaptive Resampling Algorithm

Enhancement of Particle Filter Approach for Vehicle Tracking...

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International Conference on computational Intelligence, Communication Systems and Networks, CICSYN

作者： Wei Leong Khong Wei Yeang Kow Farrah Wong Ismail Saad Kenneth Tze Kin Teo Modeling Simulation and Computational Algorithm Laboratory School of Engineering and Information Technology Universiti Malaysia Sabah Kota Kinabalu Malaysia

Nowadays, vehicle tracking is a vital approach to assist and improve the road traffic control, surveillance and security systems by having the detail of the captured vehicle information. In past, many tracking techniques have been implemented and suffered from the well known 'occlusion' problems. Increasing the accuracy of the tracking algorithm has caused the computational cost due to the inflexibility to adapt the partial and fully occluded situations. Besides occlusion, appearance of new objects and background noises in the captured videos increase the difficulties of continuously tracking the labelled vehicles. In this paper, an adaptive particle filter approach has been proposed as the tracking algorithm to solve the vehicle occlusion problem. In order to solve the common particle filter degeneracy problem, the proposed particle filter is equipped with the adaptive resampling algorithm which is capable of dealing with various occlusion incidents. The experimental results show that enhancement of the particle filter via resampling algorithm has been robustly tracking the vehicles, and significantly improve the accuracy in tracking the occluded vehicles without compromising the processing time.

关键词： Vehicles Particle filters Color Target tracking Histograms Image color analysis Accuracy

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Employing product data management systems in civil engineering projects: Functionality analysis and assessment

Employing product data management systems in civil engineeri...

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作者： Schorr, Markus Borrmann, Andr Obergriesser, Mathias Ji, Yang Gnthner, Willibald Rank, Ernst Materials Handling Material Flow and Logistics Technische Universität München Munich Germany Computational Modeling and Simulation Technische Universität München Munich Germany Bauinformatik Hochschule Regensburg Germany Computation in Engineering Technische Universität München Munich Germany

Product data management (PDM) systems are well-established in the manufacturing industry. They form the standard solution for the central storage of all data relating to a product and the processes involved in its manufacture. Particularly, the consistent management of computer-aided design (CAD) models, including sophisticated versioning techniques, access rights management, and the integrated workflow management, are attractive features for using PDM systems for civil engineering projects. This paper investigates the technical concepts behind PDM systems and compares their suitability as a data management solution in civil engineering projects with that of document management systems and product model servers. Alongside a comparative study of the major PDM systems available on the market, we also present a case study involving a PDM system that has been employed for a concrete civil engineering project. © 2011 American Society of Civil Engineers.

关键词： Project management

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Towards distributed multiscale simulation of biological processes

Towards distributed multiscale simulation of biological proc...

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7th IEEE International Conference on e-Science Workshops, eScienceW 201

作者： Bernsdorf, Jörg Berti, Guntram Chopard, Bastien Hegewald, Jan Krafczyk, Manfred Wang, Dinan Lorenz, Eric Hoekstra, Alfons German Research School for Simulation Sciences RWTH Aachen University Aachen Germany Berti CMM Consulting Mathematical Methods Bonn Germany Scientific and Parallel Computing Group University of Geneva Geneva Switzerland Institute for Computational Modeling in Civil Engineering Technische Universität Braunschweig Brunswick Germany Meteorological Institute University of Bonn Bonn Germany Section Computational Science University of Amsterdam Amsterdam Netherlands

ISBN: (纸本)9780769545981

The understanding of biological processes, e.g. related to cardio-vascular disease and treatment, can significantly be improved by numerical simulation. In this paper, we present an approach for a multiscale simulation environment, applied for the prediction of in-stent re-stenos is. Our focus is on the coupling of distributed, heterogeneous hardware to take into account the different requirements of the coupled sub-systems concerning computing power. For such a concept, which is an extension of the standard multiscale computing approach, we want to apply the term Distributed Multiscale Computing. © 2011 IEEE.

关键词： Stents

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Non-equilibrium ionization phenomena behind shock waves

Non-equilibrium ionization phenomena behind shock waves

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42nd AIAA Thermophysics Conference 2011

作者： Panesi, Marco Huo, Winifred Institute for Computational Engineering and Sciences The University of Texas at Austin 201 E. 24th Street Austin TX United States NASA Ames Research Center Fundamental Simulation and Modeling Branch MS T27B-1 Moffett Field CA 94035-0001 United States

ISBN: (纸本)9781624101465

A one-dimensional flow solver tightly coupled to a detailed electronic collisional-radiative (CR) mechanism is used to illustrate how the ionization process in uences the flow quantities, thermodynamic properties and the radiation field. In the application considered here, where entry speeds exceed 10 km/s, the primary contributor to the radiative processes are atomic species (mainly nitrogen atoms), which account for about 90% of the overall radiation output. A realistic representation of the ionization and radiative processes, occurring in shock heated air, can only be achieved through the explicit calculation of the population of the atomic electronic states using a state-to-state description of the gas kinetics, i.e., by treating the quantum states of atoms as separate pseudo-species. Often in the literature the calculation of the radiation field is decoupled from the solution of the flowfield quantities (species densities, temperatures etc.) and escape factors are used in the flow equations to model the effects of the radiative processes on the population of the excited states. The analysis of ionizing flow adopting this simplified treatment of radiation clearly shows the strong dependence of the result on the assumptions made when selecting the escape factors (e.g. thin or thick assumptions). By substituting escape factors with the source terms resulting from the solution of the radiative transfer equation, a fully consistent treatment of the radiation processes is employed in this work. The influence of the radiation processes on the population of the excited states as well as the cooling effects is thus correctly modeled. modeling examples using this approach are presented using the conditions of FIRE II flight. © 2011 by Marco Panesi.

关键词： Excited states

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Towards Distributed Multiscale simulation of Biological Processes

Towards Distributed Multiscale Simulation of Biological Proc...

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IEEE International Conference on E-Science Workshops

作者： Jorg Bernsdorf Guntram Berti Bastien Chopard Jan Hegewald Manfred Krafczyk Dinan Wang Eric Lorenz Alfons Hoekstra German Research School for Simulation Sciences RWTH Aachen University Aachen Germany Consulting mathematical methods Berti CMM Bonn Germany Scientific and Parallel Computing Group University of Geneva Geneva Switzerland Institute for Computational Modeling in Civil Engineering Technische Universität Braunschweig Brunswick Germany Meteorological Institute University of Bonn Bonn Germany Section Computational Science University of Amsterdam Amsterdam Netherlands

关键词： computational modeling Couplings Biological system modeling Numerical models Muscles Automata Drugs

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Parallel-sparse symmetrical/unsymmetrical Finite Element Domain Decomposition solver with multi-point constraints for structural/acoustic analysis

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WSEAS Transactions on Applied and Theoretical Mechanics 2011年第1期6卷 37-47页

作者： Tungkahotara, Siroj Watson, Willie R. Nguyen, Duc T. Rajan, Subramaniam D. INCA Engineers Inc. 3850 N Causeway Blvd Ste.210 New Orleans LA 70002 United States NASA Langley Research Center Computational Modeling and Simulation Branch Mail Stop 128 Hampton VA 23681 United States Old Dominion University Department of Civil and Environment Engineering 135 KAUF Norfolk VA 23529 United States Arizona State University Department of Civil Environmental and Sustainable Engineering Tempe AZ 85287 United States

Details of parallel-sparse Domain Decomposition (DD) with multi-point constraints (MPC) formulation are explained. Major computational components of the DD formulation are identified. Critical roles of parallel (direct) sparse and iterative solvers with MPC are discussed within the framework of DD formulation. Both symmetrical and unsymmetrical system of simultaneous linear equations (SLE) can be handled by the developed DD formulation. For symmetrical SLE, option for imposing MPC equations is also provided. Large-scale (up to 25 million unknowns involving complex numbers) structural and acoustic Finite Element (FE) analysis are used to evaluate the parallel computational performance of the proposed DD implementation using different parallel computer platforms. Numerical examples show that the authors' MPI/FORTRAN code is significantly faster than the commercial parallel sparse solver. Furthermore, the developed software can also conveniently and efficiently solve large SLE with MPCs, a feature not available in almost all commercial parallel sparse solvers.

关键词： Finite element method

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