Introduction to Practice of Molecular Simulation PDF Download

Author: Akira Satoh
Publisher: Elsevier
ISBN: 0123851491
Category : Technology & Engineering
Languages : en
Pages : 333

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Book Description
This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in developing simulation programs by providing physical problems and sample simulation programs for them to use. Provides tools to develop skills in developing simulations programs Includes sample simulation programs for the reader to use Appendix explains Fortran and C languages in simple terms to allow the non-expert to use them

Author: Enrique Castillo
Publisher: John Wiley & Sons
ISBN: 9780471328896
Category : Mathematics
Languages : en
Pages : 442

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Book Description
Dieses Lehrbuch der linearen Algebra für fortgeschrittene Studenten konzentriert sich in erster Linie auf Anwendungen. In einem unkonventionellen Ansatz betont der Autor vor allem die Zusammenhänge zwischen mathematischem Formalismus und physikalischer Realität: Einer der vier Teile des Bandes beschäftigt sich ausschließlich mit Beispielen aus der Mathematik, Physik und Ingenieurtechnik. Mit Codebeispielen in Mathematica und Java. (04/99)

Author: Michael Lobo
Publisher: Routledge
ISBN: 0429775601
Category : Social Science
Languages : en
Pages : 164

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Book Description
First published in 1997, this volume recognises that there are, at present, few if any books on existing CFD codes that are accessible to the academic world in general. And yet such works are of extreme importance if one is to bridge the gap between a CFD course for postgraduate students and the frontiers of current research. This book is especially intended for students commencing research in CFD – taking them step-by-step through the mathematical development of a flow solver. The only pre-requisite to an understanding of this work is a sound knowledge of engineering mathematics. Starting from the governing equations, the author explains the theory behind the time-marching approach and proceeds step-by-step to a complete computer program for the Euler solver in two dimensions. The present work is restricted to two dimensions because in the first instance ideas can be assimilated much more easily in the context of two dimensions. The book is written for research students and users of CFD. The material may be of interest even to those not directly involved with time-marching solvers, and the presentation is simple enough to be followed by course students.

Author: Daniel Muijs
Publisher: SAGE
ISBN: 9780761943839
Category : Education
Languages : en
Pages : 244

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Book Description
This book provides an introduction to using quantitative methods in educational research. The author writes for non-mathematical students, avoiding the use of mathematical formulae wherever possible. No prior knowledge of quantitative methods is needed to use this book. The author's approach features · a realistic approach, using actual databases · an emphasis on the use of effect sizes · a user-friendly approach, based on the latest version of SPSS throughout. The use of two real educational datasets keeps the content relevant, and shows students the imperfections and problems which they will meet in real-life research. The datasets use common international measures and access to the datasets, allowing students to practice and answer the questions that follow each chapter, is available though the book website. This book is for researchers and students studying research methods in education. It is suitable as a main textbook for quantitative methods courses, as well as a resource for researchers in this field.

Author: Laurent Simon
Publisher: John Wiley & Sons
ISBN: 1119055946
Category : Technology & Engineering
Languages : en
Pages : 304

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Book Description
Provides solutions for two- and three-dimensional linear models of controlled-release systems Real-world applications are taken from used to help illustrate the methods in Cartesian, cylindrical and spherical coordinate systems Covers the modeling of drug-delivery systems and provides mathematical tools to evaluate and build controlled-release devices Includes classical and analytical techniques to solve boundary-value problems involving two- and three-dimensional partial differential equations Provides detailed examples, case studies and step-by-step analytical solutions to relevant problems using popular computational software

Author: Inna K. Shingareva
Publisher: Springer Science & Business Media
ISBN: 3211994335
Category : Computers
Languages : en
Pages : 499

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Book Description
In the history of mathematics there are many situations in which cal- lations were performed incorrectly for important practical applications. Let us look at some examples, the history of computing the number ? began in Egypt and Babylon about 2000 years BC, since then many mathematicians have calculated ? (e. g. , Archimedes, Ptolemy, Vi` ete, etc. ). The ?rst formula for computing decimal digits of ? was disc- ered by J. Machin (in 1706), who was the ?rst to correctly compute 100 digits of ?. Then many people used his method, e. g. , W. Shanks calculated ? with 707 digits (within 15 years), although due to mistakes only the ?rst 527 were correct. For the next examples, we can mention the history of computing the ?ne-structure constant ? (that was ?rst discovered by A. Sommerfeld), and the mathematical tables, exact - lutions, and formulas, published in many mathematical textbooks, were not veri?ed rigorously [25]. These errors could have a large e?ect on results obtained by engineers. But sometimes, the solution of such problems required such techn- ogy that was not available at that time. In modern mathematics there exist computers that can perform various mathematical operations for which humans are incapable. Therefore the computers can be used to verify the results obtained by humans, to discovery new results, to - provetheresultsthatahumancanobtainwithoutanytechnology. With respectto our example of computing?, we can mention that recently (in 2002) Y. Kanada, Y. Ushiro, H. Kuroda, and M.

Author: Maria L. Rizzo
Publisher: CRC Press
ISBN: 1584885459
Category : Mathematics
Languages : en
Pages : 412

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Book Description
Computational statistics and statistical computing are two areas that employ computational, graphical, and numerical approaches to solve statistical problems, making the versatile R language an ideal computing environment for these fields. One of the first books on these topics to feature R, Statistical Computing with R covers the traditional core material of computational statistics, with an emphasis on using the R language via an examples-based approach. Suitable for an introductory course in computational statistics or for self-study, it includes R code for all examples and R notes to help explain the R programming concepts. After an overview of computational statistics and an introduction to the R computing environment, the book reviews some basic concepts in probability and classical statistical inference. Each subsequent chapter explores a specific topic in computational statistics. These chapters cover the simulation of random variables from probability distributions, the visualization of multivariate data, Monte Carlo integration and variance reduction methods, Monte Carlo methods in inference, bootstrap and jackknife, permutation tests, Markov chain Monte Carlo (MCMC) methods, and density estimation. The final chapter presents a selection of examples that illustrate the application of numerical methods using R functions. Focusing on implementation rather than theory, this text serves as a balanced, accessible introduction to computational statistics and statistical computing.

Author: Andrew G. Bushmakin
Publisher: John Wiley & Sons
ISBN: 1119376300
Category : Medical
Languages : en
Pages : 372

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Book Description
A Simulation-Based Guide Using SAS In A Practical Approach to Quantitative Validation of Patient-Reported Outcomes, two distinguished researchers, with 50 years of collective research experience and hundreds of publications on patient-centered research, deliver a detailed and comprehensive exposition on the critical steps required for quantitative validation of patient-reported outcomes (PROs). The book provides an incisive and instructional explanation and discussion on major aspects of psychometric validation methodology on PROs, especially relevant for medical applications sponsored by the pharmaceutical industry, where SAS is the primary software, and evaluated in regulatory and other healthcare environments. Central topics include test-retest reliability, exploratory and confirmatory factor analyses, construct and criterion validity, responsiveness and sensitivity, interpretation of PRO scores and findings, and meaningful within-patient change and clinical important difference. The authors provide step-by-step guidance while walking readers through how to structure data prior to a PRO analysis and demonstrate how to implement analyses with simulated examples grounded in real-life scenarios. Readers will also find: A thorough introduction to patient-reported outcomes, including their definition, development, and psychometric validation Comprehensive explorations of the validation workflow, including discussions of clinical trials as a data source for validation and the validation workflow for single and multi-item scales In-depth discussions of key concepts related to a validation of a measurement scale Special attention is given to the US Food and Drug Administration (FDA) guidance on development and validation of the PROs, which lay the foundation and inspiration for the analytic methods executed A Practical Approach to Quantitative Validation of Patient-Reported Outcomes is a required reference that will benefit psychometricians, statisticians, biostatisticians, epidemiologists, health service and public health researchers, outcome research scientists, regulators, and payers. STATISTICS IN PRACTICE A series of practical books outlining the use of statistical techniques in a wide range of applications areas: HUMAN AND BIOLOGICAL SCIENCES EARTH AND ENVIRONMENTAL SCIENCES INDUSTRY, COMMERCE AND FINANCE

Author:
Publisher:
ISBN:
Category : Dentistry
Languages : en
Pages : 560

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Author: Kálmán Varga
Publisher: Cambridge University Press
ISBN: 1139501054
Category : Science
Languages : en
Pages : 445

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Book Description
Computer simulation is an indispensable research tool in modeling, understanding and predicting nanoscale phenomena. However, the advanced computer codes used by researchers are too complicated for graduate students wanting to understand computer simulations of physical systems. This book gives students the tools to develop their own codes. Describing advanced algorithms, the book is ideal for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory. It contains a wide variety of practical examples of varying complexity to help readers at all levels of experience. An algorithm library in Fortran 90, available online at www.cambridge.org/9781107001701, implements the advanced computational approaches described in the text to solve physical problems.