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Supercomputing For Molecular Dynamics Simulations

Author: Alexander Heinecke
Publisher: Springer
ISBN: 3319171488
Size: 46.22 MB
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This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.

Euro Par 2015 Parallel Processing Workshops

Author: Sascha Hunold
Publisher: Springer
ISBN: 3319273086
Size: 66.54 MB
Format: PDF, Kindle
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This book constitutes the thoroughly refereed post-conference proceedings of 12 workshops held at the 21st International Conference on Parallel and Distributed Computing, Euro-Par 2015, in Vienna, Austria, in August 2015. The 67 revised full papers presented were carefully reviewed and selected from 121 submissions. The volume includes papers from the following workshops: BigDataCloud: 4th Workshop on Big Data Management in Clouds - Euro-EDUPAR: First European Workshop on Parallel and Distributed Computing Education for Undergraduate Students - Hetero Par: 13th International Workshop on Algorithms, Models and Tools for Parallel Computing on Heterogeneous Platforms - LSDVE: Third Workshop on Large Scale Distributed Virtual Environments - OMHI: 4th International Workshop on On-chip Memory Hierarchies and Interconnects - PADAPS: Third Workshop on Parallel and Distributed Agent-Based Simulations - PELGA: Workshop on Performance Engineering for Large-Scale Graph Analytics - REPPAR: Second International Workshop on Reproducibility in Parallel Computing - Resilience: 8th Workshop on Resiliency in High Performance Computing in Clusters, Clouds, and Grids - ROME: Third Workshop on Runtime and Operating Systems for the Many Core Era - UCHPC: 8th Workshop on UnConventional High Performance Computing - and VHPC: 10th Workshop on Virtualization in High-Performance Cloud Computing.

Machine Learning For Text

Author: Charu C. Aggarwal
Publisher: Springer
ISBN: 3319735314
Size: 32.24 MB
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Text analytics is a field that lies on the interface of information retrieval,machine learning, and natural language processing, and this textbook carefully covers a coherently organized framework drawn from these intersecting topics. The chapters of this textbook is organized into three categories: - Basic algorithms: Chapters 1 through 7 discuss the classical algorithms for machine learning from text such as preprocessing, similarity computation, topic modeling, matrix factorization, clustering, classification, regression, and ensemble analysis. - Domain-sensitive mining: Chapters 8 and 9 discuss the learning methods from text when combined with different domains such as multimedia and the Web. The problem of information retrieval and Web search is also discussed in the context of its relationship with ranking and machine learning methods. - Sequence-centric mining: Chapters 10 through 14 discuss various sequence-centric and natural language applications, such as feature engineering, neural language models, deep learning, text summarization, information extraction, opinion mining, text segmentation, and event detection. This textbook covers machine learning topics for text in detail. Since the coverage is extensive,multiple courses can be offered from the same book, depending on course level. Even though the presentation is text-centric, Chapters 3 to 7 cover machine learning algorithms that are often used indomains beyond text data. Therefore, the book can be used to offer courses not just in text analytics but also from the broader perspective of machine learning (with text as a backdrop). This textbook targets graduate students in computer science, as well as researchers, professors, and industrial practitioners working in these related fields. This textbook is accompanied with a solution manual for classroom teaching.

Beyond Information

Author: Tom Stonier
Publisher: Springer Science & Business Media
ISBN: 1447118359
Size: 78.22 MB
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Preamble The emergence of machine intelligence during the second half of the twentieth century is the most important development in the evolution of this planet since the origin of life two to three thousand million years ago. The emergence of machine intelligence within the matrix of human society is analogous to the emergence, three billion years ago, of complex, self-replicating molecules within the matrix of an energy-rich molecular soup - the first step in the evolution of life. The emergence of machine intelligence within a human social context has set into motion irreversible processes which will lead to an evolutionary discontinuity. Just as the emergence of "Life" represented a qualitatively different form of organisation of matter and energy, so will pure "Intelligence" represent a qualitatively different form of organisation of matter, energy and life. The emergence of machine intelligence presages the progression of the human species as we know it, into a form which, at present, we would not recognise as "human". As Forsyth and Naylor (1985) have pointed out: "Humanity has opened two Pandora's boxes at the same time, one labelled genetic engineering, the other labelled knowledge engineering. What we have let out is not entirely clear, but it is reasonable to hazard a guess that it contains the seeds of our successors".

Developing Games That Learn

Author: Leonard Dorfman
Publisher: Prentice Hall
ISBN: 9780135696170
Size: 74.40 MB
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This practical book, and the companion program disk, present a high-level programming paradigm, "Objective Artificial Intelligence", that is used to devise algorithms which enable a program to learn. The book presents three algorithms which can be modified to implement learning in many programs, and utilizes sample game programs to clearly demonstrate how these algorithms implement single trial learning.

Modeling And Simulation

Author: Hans-Joachim Bungartz
Publisher: Springer Science & Business Media
ISBN: 3642395244
Size: 16.11 MB
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Die Autoren führen auf anschauliche und systematische Weise in die mathematische und informatische Modellierung sowie in die Simulation als universelle Methodik ein. Es geht um Klassen von Modellen und um die Vielfalt an Beschreibungsarten. Aber es geht immer auch darum, wie aus Modellen konkrete Simulationsergebnisse gewonnen werden können. Nach einem kompakten Repetitorium zum benötigten mathematischen Apparat wird das Konzept anhand von Szenarien u. a. aus den Bereichen „Spielen – entscheiden – planen" und „Physik im Rechner" umgesetzt.

Software For Exascale Computing Sppexa 2013 2015

Author: Hans-Joachim Bungartz
Publisher: Springer
ISBN: 3319405284
Size: 67.64 MB
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The research and its outcomes presented in this collection focus on various aspects of high-performance computing (HPC) software and its development which is confronted with various challenges as today's supercomputer technology heads towards exascale computing. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The collection thereby highlights pioneering research findings as well as innovative concepts in exascale software development that have been conducted under the umbrella of the priority programme "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) and that have been presented at the SPPEXA Symposium, Jan 25-27 2016, in Munich. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.

Fluid Structure Interaction

Author: Hans-Joachim Bungartz
Publisher: Springer Science & Business Media
ISBN: 3540345965
Size: 52.47 MB
Format: PDF
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This volume in the series Lecture Notes in Computational Science and Engineering presents a collection of papers presented at the International Workshop on FSI, held in October 2005 in Hohenwart and organized by DFG's Research Unit 493 "FSI: Modeling, Simulation, and Optimization". The papers address partitioned and monolithic coupling approaches, methodical issues and applications, and discuss FSI from the mathematical, informatics, and engineering points of view.

The Art Of Molecular Dynamics Simulation

Author: D. C. Rapaport
Publisher: Cambridge University Press
ISBN: 9780521825689
Size: 76.66 MB
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The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this extremely broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.

Multiscale Molecular Methods In Applied Chemistry

Author: Barbara Kirchner
Publisher: Springer Science & Business Media
ISBN: 3642249671
Size: 47.48 MB
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First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A. Jaramillo-Botero, R. Nielsen, R. Abrol, J. Su, T. Pascal, J. Mueller and W. A. Goddard.- Dynamic QM/MM: A Hybrid Approach to Simulating Gas–Liquid Interactions, by S. Yockel and G. C. Schatz.- Multiscale Modelling in Computational Heterogeneous Catalysis, by F. J. Keil.- Real-World Predictions from Ab Initio Molecular Dynamics Simulations, by B. Kirchner, P. J. di Dio and J. Hutter.- Nanoscale Wetting Under Electric Field from Molecular Simulations, by C. D. Daub, D. Bratko and A. Luzar.- Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales, by J. L. Rafferty, J. I. Siepmann, M. R. Schure.- Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields, by G. Guevara-Carrion, H. Hasse and J. Vrabec.- Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes, by L. Delle Site, C. Holm and N. F. A. van der Vegt.- Coarse-Grained Modeling for Macromolecular Chemistry, by H. A. Karimi-Varzaneh and F. Müller-Plathe.-