Interactive Visualization of Molecular Dynamics Simulation Data PDF Download
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Author: Naif Alharbi
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: Naif Alharbi
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: Martin Falk
Publisher: Springer Nature
ISBN: 3031026047
Category : Mathematics
Languages : en
Pages : 109
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Book Description
Prevalent types of data in scientific visualization are volumetric data, vector field data, and particle-based data. Particle data typically originates from measurements and simulations in various fields, such as life sciences or physics. The particles are often visualized directly, that is, by simple representants like spheres. Interactive rendering facilitates the exploration and visual analysis of the data. With increasing data set sizes in terms of particle numbers, interactive high-quality visualization is a challenging task. This is especially true for dynamic data or abstract representations that are based on the raw particle data. This book covers direct particle visualization using simple glyphs as well as abstractions that are application-driven such as clustering and aggregation. It targets visualization researchers and developers who are interested in visualization techniques for large, dynamic particle-based data. Its explanations focus on GPU-accelerated algorithms for high-performance rendering and data processing that run in real-time on modern desktop hardware. Consequently, the implementation of said algorithms and the required data structures to make use of the capabilities of modern graphics APIs are discussed in detail. Furthermore, it covers GPU-accelerated methods for the generation of application-dependent abstract representations. This includes various representations commonly used in application areas such as structural biology, systems biology, thermodynamics, and astrophysics.
Author: D. C. Rapaport
Publisher: Cambridge University Press
ISBN: 9780521825689
Category : Science
Languages : en
Pages : 568
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Book Description
First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.
Author: Meha Garg
Publisher:
ISBN:
Category : Condensed matter
Languages : en
Pages : 134
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Book Description
A study of Molecular Dynamics using computational methods and modeling provides the understanding on the interaction of the atoms, properties, structure, and motion and model phenomenon. There are numerous commercial tools available for simulation, analysis and visualization. However any particular tool does not provide all the functionalities. The main objective of this work is the development of the visualization tool customized for our research needs to view the three dimensional orientation of the atom, process the simulation results offline, able to handle large volume of data, ability to display complete frame, atomic trails, and runtime response to the researchers' query with low processing time. This thesis forms the basis for the development of such an in-house tool for analysis and display of simulation results based on Open GL and MFC. Advantages, limitations, capabilities and future aspects are also discussed. The result is the system capable of processing large amount of simulation result data in 11 minutes and query response and display in less than 1 second.
Author: Lichang Wang
Publisher: BoD – Books on Demand
ISBN: 9535104438
Category : Mathematics
Languages : en
Pages : 440
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Book Description
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This first book begins with a general description of underlying theories of molecular dynamics simulations and provides extensive coverage of molecular dynamics simulations in nanotechnology and energy. Coverage of this book includes: Recent advances of molecular dynamics theory Formation and evolution of nanoparticles of up to 106 atoms Diffusion and dissociation of gas and liquid molecules on silicon, metal, or metal organic frameworks Conductivity of ionic species in solid oxides Ion solvation in liquid mixtures Nuclear structures
Author: M. P. Allen
Publisher: Oxford University Press
ISBN: 9780198556459
Category : Computers
Languages : en
Pages : 412
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Book Description
Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods.
Author: B. N. Galton
Publisher:
ISBN:
Category : Pattern recognition systems
Languages : en
Pages : 77
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Book Description
Author: Andreas Holzinger
Publisher: Springer
ISBN: 3662439689
Category : Computers
Languages : en
Pages : 373
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Book Description
One of the grand challenges in our digital world are the large, complex and often weakly structured data sets, and massive amounts of unstructured information. This “big data” challenge is most evident in biomedical informatics: the trend towards precision medicine has resulted in an explosion in the amount of generated biomedical data sets. Despite the fact that human experts are very good at pattern recognition in dimensions of = 3; most of the data is high-dimensional, which makes manual analysis often impossible and neither the medical doctor nor the biomedical researcher can memorize all these facts. A synergistic combination of methodologies and approaches of two fields offer ideal conditions towards unraveling these problems: Human–Computer Interaction (HCI) and Knowledge Discovery/Data Mining (KDD), with the goal of supporting human capabilities with machine learning./ppThis state-of-the-art survey is an output of the HCI-KDD expert network and features 19 carefully selected and reviewed papers related to seven hot and promising research areas: Area 1: Data Integration, Data Pre-processing and Data Mapping; Area 2: Data Mining Algorithms; Area 3: Graph-based Data Mining; Area 4: Entropy-Based Data Mining; Area 5: Topological Data Mining; Area 6 Data Visualization and Area 7: Privacy, Data Protection, Safety and Security.
Author: Peter Grassberger
Publisher: World Scientific
ISBN: 9814493554
Category : Science
Languages : en
Pages : 395
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Book Description
Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task.This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.
Author: J. M. Haile
Publisher: Wiley-Interscience
ISBN: 9780471184393
Category : Technology & Engineering
Languages : en
Pages : 0
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Book Description
"Provides a lot of reading pleasure and many new insights." -Journal of Molecular Structure "This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation." -Contemporary Physics "A very useful introduction . . . more interesting to read than the often dry equation-based texts." -Journal of the American Chemical Society Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of methods that until now have been scattered through the literature of the last 25 years. It reviews elements of sampling theory and discusses how modern notions of chaos and nonlinear dynamics explain the workings of molecular dynamics. Stresses easy-to-use molecules * Provides sample calculations and figures * Includes four complete FORTRAN codes
