Computational Methods In Physics Chemistry And Biology

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Computational Methods in Physics, Chemistry and Biology

Paul Harrison
Computational Methods in Physics Chemistry and Biology Book PDF

Author : Paul Harrison
Publisher : John Wiley & Sons
Page : 226 pages
File Size : 54,6 Mb
Release : 2001-11-28
Category : Science
ISBN : 047149562X

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Computational Methods in Physics, Chemistry and Biology by Paul Harrison Pdf

Eine gut verständliche Einführung in moderne naturwissenschaftliche Rechenmethoden! Nur geringe physikalische Vorkenntnisse voraussetzend, vermittelt der Autor Grundlagen und komplexere Ansätze anhand vieler Beispiele und ausgesprochen praxisnaher Übungsaufgaben. Besprochen werden alle Rechenmethoden, die im Grundstudium erlernt werden sollen, hinsichtlich ihrer Leistungsfähigkeit und ihrer Anwendungsgebiete.

Computational Methods in Physics, Chemistry and Biology

Paul Harrison
Computational Methods in Physics Chemistry and Biology Book PDF

Author : Paul Harrison
Publisher : John Wiley & Sons
Page : 230 pages
File Size : 46,9 Mb
Release : 2001-11-28
Category : Science
ISBN : 0471495638

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Computational Methods in Physics, Chemistry and Biology by Paul Harrison Pdf

Eine gut verständliche Einführung in moderne naturwissenschaftliche Rechenmethoden! Nur geringe physikalische Vorkenntnisse voraussetzend, vermittelt der Autor Grundlagen und komplexere Ansätze anhand vieler Beispiele und ausgesprochen praxisnaher Übungsaufgaben. Besprochen werden alle Rechenmethoden, die im Grundstudium erlernt werden sollen, hinsichtlich ihrer Leistungsfähigkeit und ihrer Anwendungsgebiete.

Multiscale Computational Methods in Chemistry and Physics

Achi Brandt,Jerzy Bernholc,Kurt Binder
Multiscale Computational Methods in Chemistry and Physics Book PDF

Author : Achi Brandt,Jerzy Bernholc,Kurt Binder
Publisher : Unknown
Page : 384 pages
File Size : 44,8 Mb
Release : 2001
Category : Chemistry
ISBN : STANFORD:36105110367567

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Multiscale Computational Methods in Chemistry and Physics by Achi Brandt,Jerzy Bernholc,Kurt Binder Pdf

This book brings together interdisciplinary contributions ranging from applied mathematics, theoretical physics, quantum chemistry and molecular biology, all addressing various facets of the problem to connect the many different scales that one has to deal with in the computer simulation of many systems of interest in chemistry (e.g. polymeric materials, biological molecules, clusters, surface and interface structure). Particular emphasis is on the "multigrid technique" and its applications, ranging from electronic structure calculations to the statistical mechanics of polymers.

Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes

Adam Liwo
Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes Book PDF

Author : Adam Liwo
Publisher : Springer
Page : 851 pages
File Size : 42,5 Mb
Release : 2018-12-19
Category : Technology & Engineering
ISBN : 9783319958439

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Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes by Adam Liwo Pdf

This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.

Optical Spectroscopy and Computational Methods in Biology and Medicine

Malgorzata Baranska
Optical Spectroscopy and Computational Methods in Biology and Medicine Book PDF

Author : Malgorzata Baranska
Publisher : Springer Science & Business Media
Page : 540 pages
File Size : 43,5 Mb
Release : 2013-12-05
Category : Science
ISBN : 9789400778320

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Optical Spectroscopy and Computational Methods in Biology and Medicine by Malgorzata Baranska Pdf

This multi-author contributed volume gives a comprehensive overview of recent progress in various vibrational spectroscopic techniques and chemometric methods and their applications in chemistry, biology and medicine. In order to meet the needs of readers, the book focuses on recent advances in technical development and potential exploitations of the theory, as well as the new applications of vibrational methods to problems of recent general interest that were difficult or even impossible to achieve in the not so distant past. Integrating vibrational spectroscopy and computational approaches serves as a handbook for people performing vibrational spectroscopy followed by chemometric analysis hence both experimental methods as well as procedures of recommended analysis are described. This volume is written for individuals who develop new methodologies and extend these applications to new realms of chemical and medicinal interest.

Introduction to Computational Methods in Many Body Physics

Michael Bonitz,Dirk Semkat
Introduction to Computational Methods in Many Body Physics Book PDF

Author : Michael Bonitz,Dirk Semkat
Publisher : Unknown
Page : 424 pages
File Size : 55,7 Mb
Release : 2006
Category : Many-body problem
ISBN : UCSD:31822035224823

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Introduction to Computational Methods in Many Body Physics by Michael Bonitz,Dirk Semkat Pdf

This book is a multi-purpose and user-friendly textbook covering both fundamentals (in thermodynamics and statistical mechanics) and numerous applications. The emphasis is on simple derivations of simple results which can be compared with experimental data. The first half of the book covers basic thermodynamics, statistical ensembles, Boltzmann and quantum statistics; and the second half covers magnetism, electrostatic interactions (solutions and plasmas), non-equilibrium statistical mechanics, polymers, superfluidity, renormalization theory, and other specialized topics. This book, while serving well as a reference book for research scientists, is especially suitable as a textbook for a one-year statistical mechanics course for undergraduate students in physics, chemistry, engineering, biology, and material sciences. Alternatively, the first 5 chapters of the book can be used as the textbook for an undergraduate one-semester combined thermodynamics/statistical mechanics course (or statistical thermodynamics).

Computer Simulation Methods in Theoretical Physics

Dieter W. Heermann
Computer Simulation Methods in Theoretical Physics Book PDF

Author : Dieter W. Heermann
Publisher : Springer Science & Business Media
Page : 152 pages
File Size : 44,6 Mb
Release : 2012-12-06
Category : Mathematics
ISBN : 9783642754487

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Computer Simulation Methods in Theoretical Physics by Dieter W. Heermann Pdf

Computational methods pertaining to many branches of science, such as physics, physical chemistry and biology, are presented. The text is primarily intended for third-year undergraduate or first-year graduate students. However, active researchers wanting to learn about the new techniques of computational science should also benefit from reading the book. It treats all major methods, including the powerful molecular dynamics method, Brownian dynamics and the Monte-Carlo method. All methods are treated equally from a theroetical point of view. In each case the underlying theory is presented and then practical algorithms are displayed, giving the reader the opportunity to apply these methods directly. For this purpose exercises are included. The book also features complete program listings ready for application.

Trends and Perspectives in Modern Computational Science

George Maroulis,Theodore Simos
Trends and Perspectives in Modern Computational Science Book PDF

Author : George Maroulis,Theodore Simos
Publisher : CRC Press
Page : 605 pages
File Size : 45,7 Mb
Release : 2006-10-27
Category : Mathematics
ISBN : 9789004155411

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Trends and Perspectives in Modern Computational Science by George Maroulis,Theodore Simos Pdf

This volume contains a collection of the lectures of the invited speakers and symposium organizers presented at the International Conference of Computational methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. The content of the papers bears upon new developments of Computational Science pertinent to Physics, Chemistry, Biology, Medicine, Mathematics and Engineering. Molecular Science is a privileged ground for the application and evaluation of new mathematical tools and computational methods. In recent years, novelty and progress with greatest conceivable speed is common experience. This flavor of research findings carrying many consequences for distant fields is easily evidenced in the lectures collected in this volume.

Parallel Algorithms in Computational Science

Dieter W. Heermann,Anthony N. Burkitt
Parallel Algorithms in Computational Science Book PDF

Author : Dieter W. Heermann,Anthony N. Burkitt
Publisher : Springer Science & Business Media
Page : 192 pages
File Size : 41,8 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642762659

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Parallel Algorithms in Computational Science by Dieter W. Heermann,Anthony N. Burkitt Pdf

Our aim in this book is to present and enlarge upon those aspects of parallel computing that are needed by practitioners of computational science. Today al most all classical sciences, such as mathematics, physics, chemistry and biology, employ numerical methods to help gain insight into nature. In addition to the traditional numerical methods, such as matrix inversions and the like, a whole new field of computational techniques has come to assume central importance, namely the numerical simulation methods. These methods are much less fully developed than those which are usually taught in a standard numerical math ematics course. However, they form a whole new set of tools for research in the physical sciences and are applicable to a very wide range of problems. At the same time there have been not only enormous strides forward in the speed and capability of computers but also dramatic new developments in computer architecture, and particularly in parallel computers. These improvements offer exciting prospects for computer studies of physical systems, and it is the new techniques and methods connected with such computer simulations that we seek to present in this book, particularly in the light of the possibilities opened up by parallel computers. It is clearly not possible at this early stage to write a definitive book on simulation methods and parallel computing.

Intermolecular Interactions

Ilya G. Kaplan
Intermolecular Interactions Book PDF

Author : Ilya G. Kaplan
Publisher : John Wiley & Sons
Page : 380 pages
File Size : 41,5 Mb
Release : 2006-05-01
Category : Science
ISBN : 9780470863336

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Intermolecular Interactions by Ilya G. Kaplan Pdf

The subject of this book — intermolecular interactions — is as important in physics as in chemistry and molecular biology. Intermolecular interactions are responsible for the existence of liquids and solids in nature. They determine the physical and chemical properties of gases, liquids, and crystals, the stability of chemical complexes and biological compounds. In the first two chapters of this book, the detailed qualitative description of different types of intermolecular forces at large, intermediate and short-range distances is presented. For the first time in the monographic literature, the temperature dependence of the dispersion forces is discussed, and it is shown that at finite temperatures the famous Casimir-Polder asymptotic formula is correct only at narrow distance range. The author has aimed to make the presentation understandable to a broad scope of readers without oversimplification. In Chapter 3, the methods of quantitative calculation of the intermolecular interactions are discussed and modern achievements are presented. This chapter should be helpful for scientists performing computer calculations of many-electron systems. The last two chapters are devoted to the many-body effects and model potentials. More than 50 model potentials exploited for processing experimental data and computer simulation in different fields of physics, chemistry and molecular biology are represented. The widely used global optimisation methods: simulated annealing, diffusion equation method, basin-hopping algorithm, and genetic algorithm are described in detail. Significant efforts have been made to present the book in a self-sufficient way for readers. All the necessary mathematical apparatus, including vector and tensor calculus and the elements of the group theory, as well as the main methods used for quantal calculation of many-electron systems are presented in the appendices.

Computational Methods in Molecular Biology

S.L. Salzberg,D.B. Searls,S. Kasif
Computational Methods in Molecular Biology Book PDF

Author : S.L. Salzberg,D.B. Searls,S. Kasif
Publisher : Elsevier
Page : 368 pages
File Size : 50,9 Mb
Release : 1998-06-19
Category : Computers
ISBN : 0080860931

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Computational Methods in Molecular Biology by S.L. Salzberg,D.B. Searls,S. Kasif Pdf

Computational biology is a rapidly expanding field, and the number and variety of computational methods used for DNA and protein sequence analysis is growing every day. These algorithms are extremely valuable to biotechnology companies and to researchers and teachers in universities. This book explains the latest computer technology for analyzing DNA, RNA, and protein sequences. Clear and easy to follow, designed specifically for the non-computer scientist, it will help biologists make better choices on which algorithm to use. New techniques and demonstrations are elucidated, as are state-of-the-art problems, and more advanced material on the latest algorithms. The primary audience for this volume are molecular biologists working either in biotechnology companies or academic research environments, individual researchers and the institutions they work for, and students. Any biologist who relies on computers should want this book. A secondary audience will be computer scientists developing techniques with applications in biology. An excellent reference for leading techniques, it will also help introduce computer scientists to the biology problems. This is an outstanding work which will be ideal for the increasing number of scientists moving into computational biology.

Elements of Scientific Computing

Aslak Tveito,Hans Petter Langtangen,Bjørn Frederik Nielsen,Xing Cai
Elements of Scientific Computing Book PDF

Author : Aslak Tveito,Hans Petter Langtangen,Bjørn Frederik Nielsen,Xing Cai
Publisher : Springer Science & Business Media
Page : 471 pages
File Size : 54,9 Mb
Release : 2010-09-24
Category : Mathematics
ISBN : 9783642112997

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Elements of Scientific Computing by Aslak Tveito,Hans Petter Langtangen,Bjørn Frederik Nielsen,Xing Cai Pdf

Science used to be experiments and theory, now it is experiments, theory and computations. The computational approach to understanding nature and technology is currently flowering in many fields such as physics, geophysics, astrophysics, chemistry, biology, and most engineering disciplines. This book is a gentle introduction to such computational methods where the techniques are explained through examples. It is our goal to teach principles and ideas that carry over from field to field. You will learn basic methods and how to implement them. In order to gain the most from this text, you will need prior knowledge of calculus, basic linear algebra and elementary programming.

Computational Chemistry Methodology in Structural Biology and Materials Sciences

Tanmoy Chakraborty,Prabhat Ranjan,Anand Pandey
Computational Chemistry Methodology in Structural Biology and Materials Sciences Book PDF

Author : Tanmoy Chakraborty,Prabhat Ranjan,Anand Pandey
Publisher : CRC Press
Page : 394 pages
File Size : 44,5 Mb
Release : 2017-10-03
Category : Science
ISBN : 9781351800365

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Computational Chemistry Methodology in Structural Biology and Materials Sciences by Tanmoy Chakraborty,Prabhat Ranjan,Anand Pandey Pdf

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems.

Immersed Boundary Method

Somnath Roy,Ashoke De,Elias Balaras
Immersed Boundary Method Book PDF

Author : Somnath Roy,Ashoke De,Elias Balaras
Publisher : Springer Nature
Page : 441 pages
File Size : 51,9 Mb
Release : 2020-05-15
Category : Technology & Engineering
ISBN : 9789811539404

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Immersed Boundary Method by Somnath Roy,Ashoke De,Elias Balaras Pdf

This volume presents the emerging applications of immersed boundary (IB) methods in computational mechanics and complex CFD calculations. It discusses formulations of different IB implementations and also demonstrates applications of these methods in a wide range of problems. It will be of special value to researchers and engineers as well as graduate students working on immersed boundary methods, specifically on recent developments and applications. The book can also be used as a supplementary textbook in advanced courses in computational fluid dynamics.

Computational Methods for Large Systems

Jeffrey R. Reimers
Computational Methods for Large Systems Book PDF

Author : Jeffrey R. Reimers
Publisher : John Wiley & Sons
Page : 568 pages
File Size : 44,9 Mb
Release : 2011-08-24
Category : Science
ISBN : 9780470934722

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Computational Methods for Large Systems by Jeffrey R. Reimers Pdf

While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems.