Search results for: molecular-simulations-and-visualization

Simulation and Visualization on the Grid

Author : Björn Engquist
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It is now 30 years since the network for digital communication, the ARPA-net, first came into operation. Since the first experiments with sending electronic mail and performing file transfers, the development of networks has been truly remarkable. Today's Internet continues to develop at an exponential rate that even surpasses that of computing and storage technologies. About five years after being commercialized, it has become as pervasive as the tele phone had become 30 years after its initial deployment. In the United States, the size of the Internet industry already exceeds that of the auto industry, which has been in existence for about 100 years. The exponentially increas ing capabilities of communication, computing, and storage systems is also reshaping the way science and engineering are pursued. Large-scale simulation studies in chemistry, physics, engineering, and sev eral other disciplines may now produce data sets of ,several terabytes or petabytes. Similarly, almost all measurements today produce data in digital form, whether from collections of sensors, three-dimensional digital images, or video. These data sets often represent complex phenomena that require rich visualization capabilities and efficient data-mining techniques to under stand. Furthermore, the data may be produced and archived in several differ ent locations, and the analysis carried out by teams with members at several locations-possibly distinct from those with significant storage, computation, or visualization facilities. The emerging computational Grids enable the transparent use of remote instruments, computational and data resources.

Smart Graphics

Author : Robyn Taylor
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The LNCS series reports state-of-the-art results in computer science research, development, and education, at a high level and in both printed and electronic form. Enjoying tight cooperation with the R&D community, with numerous individuals, as well as with prestigious organizations and societies, LNCS has grown into the most comprehensive computer science research forum available. The scope of LNCS, including its subseries LNAI and LNBI, spans the whole range of computer science and information technology including interdisciplinary topics in a variety of application fields. In parallel to the printed book, each new volume is published electronically in LNCS Online.

Visualization in Science Education

Author : John K. Gilbert
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This book addresses key issues concerning visualization in the teaching and learning of science at any level in educational systems. It is the first book specifically on visualization in science education. The book draws on the insights from cognitive psychology, science, and education, by experts from five countries. It unites these with the practice of science education, particularly the ever-increasing use of computer-managed modelling packages.

Molecular Dynamics

Author : Perla Balbuena
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The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD). Features of this book: • Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD • Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers • Provides chemical reactions, interfaces, catalysis, surface phenomena and solids Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.

Handbook of Layered Materials

Author : Scott M. Auerbach
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Focusing on layered compounds at the core of materials intercalation chemistry, this reference comprehensively explores clays and other classes of materials exhibiting the ability to pillar, or establish permanent intracrystalline porosity within layers. It offers an authoritative presentation of their fundamental properties as well as summaries of

Virtual Augmented and Mixed Reality Industrial and Everyday Life Applications

Author : Jessie Y. C. Chen
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The 2 volume-set of LNCS 12190 and 12191 constitutes the refereed proceedings of the 12th International Conference on Virtual, Augmented and Mixed Reality, VAMR 2020, which was due to be held in July 2020 as part of HCI International 2020 in Copenhagen, Denmark. The conference was held virtually due to the COVID-19 pandemic. A total of 1439 papers and 238 posters have been accepted for publication in the HCII 2020 proceedings from a total of 6326 submissions. The 71 papers included in these HCI 2020 proceedings were organized in topical sections as follows: Part I: design and user experience in VAMR; gestures and haptic interaction in VAMR; cognitive, psychological and health aspects in VAMR; robots in VAMR. Part II: VAMR for training, guidance and assistance in industry and business; learning, narrative, storytelling and cultural applications of VAMR; VAMR for health, well-being and medicine.

Molecular Simulations and Visualization

Author : Royal Society Of Chemistry
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Biology, chemistry and materials science make extensive use of computational methods ranging from applications at the cellular level to detailed atomistic simulations of molecular assemblies, materials or small molecules. Many of these computational methods are nowadays routinely used to complement experimental studies. However, despite maturity of this intrinsically multi-disciplinary field, recent progress in the computational sciences has only slowly found its way into numerical simulations. In particular, the enormous potential of immersive and interactive virtual reality approaches, and advanced visual analysis of simulation data, have not been well explored so far. This title aims to illustrate and discuss the potential of human computer interaction and virtual reality for computational molecular sciences for researchers involved in the natural sciences and computational sciences whilst exploring beyond the boundaries of each discipline.

Multiscale Materials Modeling for Nanomechanics

Author : Christopher R. Weinberger
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This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case studies from a varied selection of research groups focusing either on a the application of multiscale modeling to a specific nanomaterial, or novel analysis techniques aimed at exploring nanomechanics. Readers are also directed to helpful sites and other resources throughout the book where the simulation codes and methodologies discussed herein can be accessed. Emphasis on the practicality of the detailed techniques is especially felt in the latter half of the book, which is dedicated to specific examples to study nanomechanics and multiscale materials behavior. An instructive avenue for learning how to effectively apply these simulation tools to solve nanomechanics problems is to study previous endeavors. Therefore, each chapter is written by a unique team of experts who have used multiscale materials modeling to solve a practical nanomechanics problem. These chapters provide an extensive picture of the multiscale materials landscape from problem statement through the final results and outlook, providing readers with a roadmap for incorporating these techniques into their own research.

Topological Methods in Data Analysis and Visualization III

Author : Peer-Timo Bremer
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This collection of peer-reviewed conference papers provides comprehensive coverage of cutting-edge research in topological approaches to data analysis and visualization. It encompasses the full range of new algorithms and insights, including fast homology computation, comparative analysis of simplification techniques, and key applications in materials and medical science. The volume also features material on core research challenges such as the representation of large and complex datasets and integrating numerical methods with robust combinatorial algorithms. Reflecting the focus of the TopoInVis 2013 conference, the contributions evince the progress currently being made on finding experimental solutions to open problems in the sector. They provide an inclusive snapshot of state-of-the-art research that enables researchers to keep abreast of the latest developments and provides a foundation for future progress. With papers by some of the world’s leading experts in topological techniques, this volume is a major contribution to the literature in a field of growing importance with applications in disciplines that range from engineering to medicine.

Basics of Bioinformatics

Author : Rui Jiang
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This book outlines 11 courses and 15 research topics in bioinformatics, based on curriculums and talks in a graduate summer school on bioinformatics that was held in Tsinghua University. The courses include: Basics for Bioinformatics, Basic Statistics for Bioinformatics, Topics in Computational Genomics, Statistical Methods in Bioinformatics, Algorithms in Computational Biology, Multivariate Statistical Methods in Bioinformatics Research, Association Analysis for Human Diseases: Methods and Examples, Data Mining and Knowledge Discovery Methods with Case Examples, Applied Bioinformatics Tools, Foundations for the Study of Structure and Function of Proteins, Computational Systems Biology Approaches for Deciphering Traditional Chinese Medicine, and Advanced Topics in Bioinformatics and Computational Biology. This book can serve as not only a primer for beginners in bioinformatics, but also a highly summarized yet systematic reference book for researchers in this field. Rui Jiang and Xuegong Zhang are both professors at the Department of Automation, Tsinghua University, China. Professor Michael Q. Zhang works at the Cold Spring Harbor Laboratory, Cold Spring Harbor, NY, USA.