eBook High-Performance Computing Infrastructure for South East Europe’s Research Communities, 1st Edition

  • Published By:
  • ISBN-10: 3319015206
  • ISBN-13: 9783319015200
  • DDC: 004.3
  • Grade Level Range: College Freshman - College Senior
  • 171 Pages | eBook
  • Original Copyright 2014 | Published/Released May 2014
  • This publication's content originally published in print form: 2014
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This book is a collection of carefully reviewed papers presented during the HP-SEE User Forum, the meeting of the High-Performance Computing Infrastructure for South East Europe’s (HP-SEE) Research Communities, held in October 17-19, 2012, in Belgrade, Serbia. HP-SEE aims at supporting and integrating regional HPC infrastructures; implementing solutions for HPC in the region; and making HPC resources available to research communities in SEE, region, which are working in a number of scientific fields with specific needs for massively parallel execution on powerful computing resources. HP-SEE brings together research communities and HPC operators from 14 different countries and enables them to share HPC facilities, software, tools, data and research results, thus fostering collaboration and strengthening the regional and national human network; the project specifically supports research groups in the areas of computational physics, computational chemistry and the life sciences. The contributions presented in this book are organized in four main sections: computational physics; computational chemistry; the life sciences; and scientific computing and HPC operations. 

Table of Contents

Front Cover.
Editorial Board.
Title Page.
Copyright Page.
1: Computational Physics.
2: Simulation of Electron Transport Using HPC Infrastructure in South-Eastern Europe.
3: Density Waves in Dipolar Bose-Einstein Condensates by Means of Symbolic Computations.
4: Using Parallel Computing to Calculate Static Interquark Potential in LQCD.
5: Modelling of Disaster Spreading Dynamics.
6: Determination of Zone of Flow Instability in a Gas Flow Past a Square Particle in a Narrow Microchannel.
7: Quenched Hadron Spectroscopy Using FermiQCD.
8: Self-Avoiding Hamiltonian Walks Counting in Parallel Processing Mode.
9: Computational Chemistry.
10: Conformational Analysis and HF Ab Initio Geometry Optimization of Kyotorphine and Its Sulfo-Analogues Norsulfoarginine-Tyrosine and Tyrosine-Norsulfoarginine.
11: Dynamics of Uninhibited and Covalently Inhibited Cysteine Protease on Non-physiological pH.
12: Mechanisms of Polarization.
13: Some Aspects of the Comparative Study of Semi-empirical Combustion Models on FLUENT and OpenFOAM Codes.
14: Development of a Hybrid Statistical Physics – Quantum Mechanical Methodology for Computer Simulations of Condensed Phases and Its Implementation on High-Performance Computing Systems*.
15: Life Sciences.
16: Solvatochromic Effect for the Denaturation and Mutation Processes in DNA: Computational Study.
17: Dynamic Features of Complex Systems: A Molecular Simulation Study.
18: Using Adaptive Mesh Refinement Strategy for Numerical Solving of Gas Dynamics Problems on Multicore Computers.
19: Scientific Computing and HPC Operations.
20: Number Theory Algorithms on GPU Clusters.
21: Advanced Vulnerability Assessment Tool for Distributed Systems.
22: Performance and Scalability Evaluation of Short Fragment Sequence Alignment Applications.
23: Implementation and Benchmarking of New FFT Libraries in Quantum ESPRESSO.
24: An Analysis of FFTW and FFTE Performance.
Author Index.