Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
A 10000 Particle Molecular Dynamics Model With Long Range Forces
Download A 10000 Particle Molecular Dynamics Model With Long Range Forces full books in PDF, epub, and Kindle. Read online A 10000 Particle Molecular Dynamics Model With Long Range Forces ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Book Synopsis Molecular Dynamics by : Perla Balbuena
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 solidsAlthough 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.
Book Synopsis Single-Ion Solvation by : Philippe Hunenberger
Download or read book Single-Ion Solvation written by Philippe Hunenberger and published by Royal Society of Chemistry. This book was released on 2015-10-20 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place requires the evaluation of the thermodynamic parameters associated with the solvation of a given ion. However, due to the constraint of electroneutrality, the involvement of surface effects and the ambiguous connection between microscopic and macroscopic descriptions, the determination of single-ion solvation properties via both experimental and theoretical approaches has turned out to be a very difficult and highly controversial problem. This unique book provides an up-to-date, compact and consistent account of the research field of single-ion solvation thermodynamics that has over one hundred years of history and still remains largely unsolved. By reviewing the various approaches employed to date, establishing the relevant connections between single-ion thermodynamics and electrochemistry, resolving conceptual ambiguities, and giving an exhaustive data compilation (in the context of alkali and halide hydration), this book provides a consistent synthesis, in depth understanding and clarification of a large and sometimes very confusing research field. The book is primarily aimed at researchers (professors, postgraduates, graduates, and industrial researchers) concerned with processes involving ionic solvation properties (these are ubiquitous, eg. in physical/organic/analytical chemistry, electrochemistry, biochemistry, pharmacology, geology, and ecology). Because of the concept definitions and data compilations it contains, it is also a useful reference book to have in a university library. Finally, it may be of general interest to anyone wanting to learn more about ions and solvation. Key features: - discusses both experimental and theoretical approaches, and establishes the connection between them - provides both an account of the past research (covering over one hundred years) and a discussion of current directions (in particular on the theoretical side) - involves a comprehensive reference list of over 2000 citations - employs a very consistent notation (including table of symbols and unambiguous definitions of all introduced quantities) - provides a discussion and clarification of ambiguous concepts (ie. concepts that have not been defined clearly, or have been defined differently by different authors, leading to confusion in past literature) - encompasses an exhaustive data compilation (in the restricted context of alkali and halide hydration), along with recommended values (after critical analysis of this literature data) - is illustrated by a number of synoptic colour figures, that will help the reader to grasp the connections between different concepts in one single picture
Book Synopsis Computer Simulation Using Particles by : R.W Hockney
Download or read book Computer Simulation Using Particles written by R.W Hockney and published by CRC Press. This book was released on 2021-03-24 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer simulation of systems has become an important tool in scientific research and engineering design, including the simulation of systems through the motion of their constituent particles. Important examples of this are the motion of stars in galaxies, ions in hot gas plasmas, electrons in semiconductor devices, and atoms in solids and liquids. The behavior of the system is studied by programming into the computer a model of the system and then performing experiments with this model. New scientific insight is obtained by observing such computer experiments, often for controlled conditions that are not accessible in the laboratory. Computer Simulation using Particles deals with the simulation of systems by following the motion of their constituent particles. This book provides an introduction to simulation using particles based on the NGP, CIC, and P3M algorithms and the programming principles that assist with the preparations of large simulation programs based on the OLYMPUS methodology. It also includes case study examples in the fields of astrophysics, plasmas, semiconductors, and ionic solids as well as more detailed mathematical treatment of the models, such as their errors, dispersion, and optimization. This resource will help you understand how engineering design can be assisted by the ability to predict performance using the computer model before embarking on costly and time-consuming manufacture.
Download or read book Carbon Nanotube Devices written by and published by John Wiley & Sons. This book was released on 2008-05-05 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Following on from the first AMN volume, this handy reference and textbook examines the topic of nanosystem design in further detail. It explains the physical and chemical basics behind the design and fabrication of nanodevices, covering all important, recent advances in the field, while introducing nanosystems to less experienced readers. The result is an important source for a fast, accurate overview of the state of the art of nanosystem realization, summarizing further important literature.
Book Synopsis From Protein Structure to Function with Bioinformatics by : Daniel J. Rigden
Download or read book From Protein Structure to Function with Bioinformatics written by Daniel J. Rigden and published by Springer. This book was released on 2017-04-06 with total page 509 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is about protein structural bioinformatics and how it can help understand and predict protein function. It covers structure-based methods that can assign and explain protein function based on overall folds, characteristics of protein surfaces, occurrence of small 3D motifs, protein-protein interactions and on dynamic properties. Such methods help extract maximum value from new experimental structures, but can often be applied to protein models. The book also, therefore, provides comprehensive coverage of methods for predicting or inferring protein structure, covering all structural classes from globular proteins and their membrane-resident counterparts to amyloid structures and intrinsically disordered proteins. The book is split into two broad sections, the first covering methods to generate or infer protein structure, the second dealing with structure-based function annotation. Each chapter is written by world experts in the field. The first section covers methods ranging from traditional homology modelling and fold recognition to fragment-based ab initio methods, and includes a chapter, new for the second edition, on structure prediction using evolutionary covariance. Membrane proteins and intrinsically disordered proteins are each assigned chapters, while two new chapters deal with amyloid structures and means to predict modes of protein-protein interaction. The second section includes chapters covering functional diversity within protein folds and means to assign function based on surface properties and recurring motifs. Further chapters cover the key roles of protein dynamics in protein function and use of automated servers for function inference. The book concludes with two chapters covering case studies of structure prediction, based respectively on crystal structures and protein models, providing numerous examples of real-world usage of the methods mentioned previously. This book is targeted at postgraduate students and academic researchers. It is most obviously of interest to protein bioinformaticians and structural biologists, but should also serve as a guide to biologists more broadly by highlighting the insights that structural bioinformatics can provide into proteins of their interest.
Book Synopsis From Protein Structure to Function with Bioinformatics by : Daniel John Rigden
Download or read book From Protein Structure to Function with Bioinformatics written by Daniel John Rigden and published by Springer Science & Business Media. This book was released on 2008-12-11 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proteins lie at the heart of almost all biological processes and have an incredibly wide range of activities. Central to the function of all proteins is their ability to adopt, stably or sometimes transiently, structures that allow for interaction with other molecules. An understanding of the structure of a protein can therefore lead us to a much improved picture of its molecular function. This realisation has been a prime motivation of recent Structural Genomics projects, involving large-scale experimental determination of protein structures, often those of proteins about which little is known of function. These initiatives have, in turn, stimulated the massive development of novel methods for prediction of protein function from structure. Since model structures may also take advantage of new function prediction algorithms, the first part of the book deals with the various ways in which protein structures may be predicted or inferred, including specific treatment of membrane and intrinsically disordered proteins. A detailed consideration of current structure-based function prediction methodologies forms the second part of this book, which concludes with two chapters, focusing specifically on case studies, designed to illustrate the real-world application of these methods. With bang up-to-date texts from world experts, and abundant links to publicly available resources, this book will be invaluable to anyone who studies proteins and the endlessly fascinating relationship between their structure and function.
Book Synopsis Numerical Simulation in Molecular Dynamics by : Michael Griebel
Download or read book Numerical Simulation in Molecular Dynamics written by Michael Griebel and published by Springer Science & Business Media. This book was released on 2007-08-16 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn how to write programs capable of running successful experiments for molecular dynamics.
Book Synopsis The Handbook of Nanotechnology by : Akhlesh Lakhtakia
Download or read book The Handbook of Nanotechnology written by Akhlesh Lakhtakia and published by . This book was released on 2004-09-24 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: Despite some 20 years of research history, nanotechnology is still widely regarded as being at an embryonic stage of development. This text provides guidance on the state of the art to the growing numbers of nanotechnology researchers, helping to shape the contours of both experimental research and theoretical research.
Download or read book Current Technical Papers written by and published by . This book was released on 1974 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Simulation of Fluids by : Richard J. Sadus
Download or read book Molecular Simulation of Fluids written by Richard J. Sadus and published by Elsevier. This book was released on 2023-09-16 with total page 617 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular simulation allows researchers unique insight into the structures and interactions at play in fluids. Since publication of the first edition of Molecular Simulation of Fluids, novel developments in theory, algorithms and computer hardware have generated enormous growth in simulation capabilities. This 2nd edition has been fully updated and expanded to highlight this recent progress, encompassing both Monte Carlo and molecular dynamic techniques, and providing details of theory, algorithms and both serial and parallel implementations. Beginning with a clear introduction and review of theoretical foundations, the book goes on to explore intermolecular potentials before discussing the calculation of molecular interactions in more detail. Monte Carlo simulation and integrators for molecular dynamics are then discussed further, followed by non-equilibrium molecular dynamics and molecular simulation of ensembles and phase equilibria. The use of object-orientation is examined in detail, with working examples coded in C++. Finally, practical parallel simulation algorithms are discussed using both MPI and GPUs, with the latter coded in CUDA. Drawing on the extensive experience of its expert author, Molecular Simulation of Fluids: Theory, Algorithms, Object-Orientation, and Parallel Computing 2nd Edition is a practical, accessible guide to this complex topic for all those currently using, or interested in using, molecular simulation to study fluids. - Fully updated and revised to reflect advances in the field, including new chapters on intermolecular potentials and parallel algorithms - Covers the application of both MPI and GPU programming to molecular simulation - Covers a wide range of simulation topics using both Monte Carlo and molecular dynamics approaches - Provides access to downloadable simulation code, including GPU code using CUDA, to encourage practice and support learning
Book Synopsis Advanced Materials '93 by : T Matsumoto
Download or read book Advanced Materials '93 written by T Matsumoto and published by Newnes. This book was released on 2012-12-02 with total page 809 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computations, Glassy Materials, Microgravity and Non-Destructive Testing is a compilation of the papers presented during the Third IUMRS International Conference on Advanced Materials International Union of The Materials Research Societies that discussed the concepts and methods behind glassy materials. The book is divided into parts. Part 1 tackles the progresses in sol-gel science and technology; the reaction mechanisms of ormosils and effects of ultrasonic irradiation; and the preparation of different glasses and their properties. Part 2 covers topics such as the neural network system for the identification of materials; the use of computers for simulations of many-body systems; computer system for meeting the supercomputing needs of materials; quality control of materials information by knowledge base; and the development of knowledgebase system for computer-assisted alloy design. Part 3 deals with the properties of different materials, the concepts, and the techniques behind them, and Part 4 discusses the non-destructive evaluation. The text is recommended for chemists and engineers in the field of materials science, especially those who wish to know more about the progress in its field of research.
Book Synopsis Monte Carlo Device Simulation by : Karl Hess
Download or read book Monte Carlo Device Simulation written by Karl Hess and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: Monte Carlo simulation is now a well established method for studying semiconductor devices and is particularly well suited to highlighting physical mechanisms and exploring material properties. Not surprisingly, the more completely the material properties are built into the simulation, up to and including the use of a full band structure, the more powerful is the method. Indeed, it is now becoming increasingly clear that phenomena such as reliabil ity related hot-electron effects in MOSFETs cannot be understood satisfac torily without using full band Monte Carlo. The IBM simulator DAMOCLES, therefore, represents a landmark of great significance. DAMOCLES sums up the total of Monte Carlo device modeling experience of the past, and reaches with its capabilities and opportunities into the distant future. This book, therefore, begins with a description of the IBM simulator. The second chapter gives an advanced introduction to the physical basis for Monte Carlo simulations and an outlook on why complex effects such as collisional broadening and intracollisional field effects can be important and how they can be included in the simulations. References to more basic intro the book. The third chapter ductory material can be found throughout describes a typical relationship of Monte Carlo simulations to experimental data and indicates a major difficulty, the vast number of deformation poten tials required to simulate transport throughout the entire Brillouin zone. The fourth chapter addresses possible further extensions of the Monte Carlo approach and subtleties of the electron-electron interaction.
Book Synopsis Nanoparticle Technology Handbook by : Makio Naito
Download or read book Nanoparticle Technology Handbook written by Makio Naito and published by Elsevier. This book was released on 2018-03-06 with total page 906 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoparticle Technology Handbook, Third Edition, is an updated and expanded authoritative reference providing both the theory behind nanoparticles and the practical applications of nanotechnology. This third edition features twenty new chapters, providing a reference much broader in scope than the previous edition. Over 140 experts in nanotechnology and/or particle technology contributed to this new edition. The book not only includes the theory behind nanoparticles, but also the practical applications of nanotechnology. It examines future possibilities and new innovations and contains important knowledge on nanoparticle characterization and the effect of nanoparticles on the environment and humans. Nanoparticle technology is a new and revolutionary technology, which is increasingly used in electronic devices and nanomaterials. It handles the preparation, processing, application and characterization of nanoparticles and has become the core of nanotechnology as an extension of conventional fine particle/powder technology. Nanoparticle technology plays an important role in the implementation of nanotechnology in many engineering and industrial fields, including electronic devices, advanced ceramics, new batteries, engineered catalysts, functional paint and ink, drug delivery system, biotechnology, etc., making use of the unique properties of nanoparticles, which are completely different from those of bulk materials. - Introduces all aspects of nanoparticle technology, from the fundamentals to applications - Cover basic information on preparation through to the characterization of nanoparticles in a systematic way - Features information on nanostructures, which play an important role in practical applications - Includes the effects of nanoparticles on human health and the environment - Includes applications of nanoparticles in diverse fields, including applications in new areas, such as electronics cosmetics, etc. - Offers up-to-date information given by specialists in each field
Book Synopsis Joint Meeting of the U.S. Sections of the Combustion Institute, Western States, Central States, Eastern States by :
Download or read book Joint Meeting of the U.S. Sections of the Combustion Institute, Western States, Central States, Eastern States written by and published by . This book was released on 1999 with total page 954 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics by : Bruce J Berne
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Book Synopsis Micromechanics of Granular Materials by : Bernard Cambou
Download or read book Micromechanics of Granular Materials written by Bernard Cambou and published by John Wiley & Sons. This book was released on 2013-03-01 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nearly all solids are compised of grains. However most studies treat materials as a continious solid. The book applies analysis used on loose granular materials to dense grainular materials. This title’s main focus is devoted to static or dynamic loadings applied to dense materials, although rapid flows and widely dispersed media are also mentioned briefly. Three essential areas are covered: Local variable analysis: Contact forces, displacements and rotations, orientation of contacting particles and fabric tensors are all examples of local variables. Their statistical distributions, such as spatial distribution and possible localization, are analyzed, taking into account experimental results or numerical simulations. Change of scales procedures: Also known as “homogenization techniques”, these procedures make it possible to construct continuum laws to be used in a continuum mechanics approach or performing smaller scale analyses. Numerical modeling: Several methods designed to calculate approximate solutions of dynamical equations together with unilateral contact and frictional laws are presented, including molecular dynamics, the distinct element method and non-smooth contact dynamics. Numerical examples are given and the quality of numerical approximations is discussed.
Book Synopsis Frontiers in Clinical Drug Research: Hematology by : Atta-ur-Rahman
Download or read book Frontiers in Clinical Drug Research: Hematology written by Atta-ur-Rahman and published by Bentham Science Publishers. This book was released on 2014-06-20 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Clinical Drug Research – Hematology is an eBook series that brings updated reviews to readers interested in learning about advances in the development of pharmaceutical agents for the treatment of hematological disorders. The scope of the eBook series covers a range of topics including the medicinal chemistry, pharmacology, molecular biology and biochemistry of natural and synthetic drugs employed in the treatment of anemias, coagulopathies, vascular diseases and hematological malignancies. Reviews in this series also include research on specific antibody targets, therapeutic methods, genetic hemoglobinopathies and pre-clinical / clinical findings on novel pharmaceutical agents. Frontiers in Clinical Drug Research – Hematology is a valuable resource for pharmaceutical scientists and postgraduate students seeking updated and critically important information for developing clinical trials and devising research plans in the field of hematology, oncology and vascular pharmacology. The first volume of this series features 6 chapters that cover a variety of topics including: Computational methods, molecular docking, and molecular dynamics simulation Recent advances in the treatment of Beta-Thalassemia Major Research on multiple myeloma and leukemia Molecular imaging in hematology
