Computational approaches in physics / (Record no. 46979)

MARC details
000 -LEADER
fixed length control field 05538nam a2200697 i 4500
001 - CONTROL NUMBER
control field 9781681744179
003 - CONTROL NUMBER IDENTIFIER
control field IOP
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20190906125257.0
006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS
fixed length control field m eo d
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION
fixed length control field cr cn |||m|||a
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 161101s2016 caua ob 000 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9781681744179
Qualifying information ebook
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9781681744193
Qualifying information mobi
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
Canceled/invalid ISBN 9781681744162
Qualifying information print
024 7# - OTHER STANDARD IDENTIFIER
Standard number or code 10.1088/978-1-6817-4417-9
Source of number or code doi
035 ## - SYSTEM CONTROL NUMBER
System control number (CaBNVSL)thg00971748
035 ## - SYSTEM CONTROL NUMBER
System control number (OCoLC)962421507
040 ## - CATALOGING SOURCE
Original cataloging agency CaBNVSL
Language of cataloging eng
Description conventions rda
Transcribing agency CaBNVSL
Modifying agency CaBNVSL
050 #4 - LIBRARY OF CONGRESS CALL NUMBER
Classification number QC6
Item number .F973 2016eb
072 #7 - SUBJECT CATEGORY CODE
Subject category code PHU
Source bicssc
072 #7 - SUBJECT CATEGORY CODE
Subject category code SCI040000
Source bisacsh
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 530.1/594
Edition number 23
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Fyra, Maria,
Relator term author.
245 10 - TITLE STATEMENT
Title Computational approaches in physics /
Statement of responsibility, etc. Maria Fyta.
264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE
Place of production, publication, distribution, manufacture San Rafael [California] (40 Oak Drive, San Rafael, CA, 94903, USA) :
Name of producer, publisher, distributor, manufacturer Morgan & Claypool Publishers,
Date of production, publication, distribution, manufacture, or copyright notice [2016]
264 #2 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE
Place of production, publication, distribution, manufacture Bristol [England] (Temple Circus, Temple Way, Bristol BS1 6HG, UK) :
Name of producer, publisher, distributor, manufacturer IOP Publishing,
Date of production, publication, distribution, manufacture, or copyright notice [2016]
300 ## - PHYSICAL DESCRIPTION
Extent 1 online resource (various pagings) :
Other physical details illustrations (some color).
336 ## - CONTENT TYPE
Content type term text
Source rdacontent
337 ## - MEDIA TYPE
Media type term electronic
Source isbdmedia
338 ## - CARRIER TYPE
Carrier type term online resource
Source rdacarrier
490 1# - SERIES STATEMENT
Series statement [IOP release 3]
490 1# - SERIES STATEMENT
Series statement IOP concise physics,
International Standard Serial Number 2053-2571
500 ## - GENERAL NOTE
General note "Version: 20161001"--Title page verso.
500 ## - GENERAL NOTE
General note "A Morgan & Claypool publication as part of IOP Concise Physics"--Title page verso.
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc Includes bibliographical references.
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note Preface -- 1. Introduction -- 1.1. Computational physics
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 2. Quantum-mechanical methods -- 2.1. General remarks -- 2.2. The Hartree-Fock method -- 2.3. Post HF schemes -- 2.4. Density functional theory (DFT) -- 2.5. Time-dependent density functional theory (TDDFT) -- 2.6. Ab initio MD and electronic structure -- 2.7. Semi-empirical methods
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 3. Atomistic methods -- 3.1. Classical molecular dynamics -- 3.2. Setting environment conditions -- 3.3. Integration schemes -- 3.4. General remarks on MD
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 4. Classical potentials and force fields -- 4.1. Classical pair potentials -- 4.2. Multi-body reactive force fields -- 4.3. Force fields for biomolecules -- 4.4. Embedded atom method (EAM) -- 4.5. Water models
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 5. Mesoscopic particle methods -- 5.1. Simulation of fluids -- 5.2. Continuum methods -- 5.3. Dissipative particle dynamics -- 5.4. Lattice methods
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 6. The Monte Carlo method -- 6.1. Random numbers -- 6.2. Classical Monte Carlo -- 6.3. Quantum Monte Carlo (QMC)
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 7. Multiscale, hybrid, and coarse-grained methods -- 7.1. Coarse-graining -- 7.2. Multiscale or hybrid schemes
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 8. Other common aspects -- 8.1. Search and sampling of the configuration space, energy minimization -- 8.2. Free energy methods -- 8.3. Dealing with electrostatics/electrokinetics -- 8.4. Example codes.
520 3# - SUMMARY, ETC.
Summary, etc. Computational Approaches in Physics reviews computational schemes which are used in the simulations of physical systems. These range from very accurate ab initio techniques up to coarse-grained and mesoscopic schemes. The choice of the method is based on the desired accuracy and computational efficiency. A bottom-up approach is used to present the various simulation methods used in Physics, starting from the lower level and the most accurate methods, up to particle-based ones. The book outlines the basic theory underlying each technique and its complexity, addresses the computational implications and issues in the implementation, as well as present representative examples. A link to the most common computational codes, commercial or open source is listed in each chapter. The strengths and deficiencies of the variety of techniques discussed in this book are presented in detail and visualization tools commonly used to make the simulation data more comprehensive are also discussed. In the end, specific techniques are used as bridges across different disciplines. To this end, examples of different systems tackled with the same methods are presented. The appendices include elements of physical theory which are prerequisites in understanding the simulation methods.
521 ## - TARGET AUDIENCE NOTE
Target audience note Advanced students and researchers.
530 ## - ADDITIONAL PHYSICAL FORM AVAILABLE NOTE
Additional physical form available note Also available in print.
538 ## - SYSTEM DETAILS NOTE
System details note Mode of access: World Wide Web.
538 ## - SYSTEM DETAILS NOTE
System details note System requirements: Adobe Acrobat Reader.
545 ## - BIOGRAPHICAL OR HISTORICAL DATA
Biographical or historical data Maria Fyta is a Junior Professor at the University of Stuttgart in the Institute for Computational Physics. Her research is focused on the interface of materials science and biophysical phenomena and belongs to the field of computational physics. Applications of this work can be purely technological, like MEMS/NEMS coatings and spin qubits or biotechnological, like ultra-fast DNA sequencing and biosensing. She received her PhD from the University of Crete in 2005 and did postdoctoral work at both Harvard University and the Technical University of Munich.
588 ## - SOURCE OF DESCRIPTION NOTE
Source of description note Title from PDF title page (viewed on November 2, 2016).
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Physics
General subdivision Methodology.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Mathematical physics.
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Mathematical Physics.
Source of heading or term bicssc
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element SCIENCE / Physics / Mathematical & Computational.
Source of heading or term bisacsh
710 2# - ADDED ENTRY--CORPORATE NAME
Corporate name or jurisdiction name as entry element Morgan & Claypool Publishers,
Relator term publisher.
710 2# - ADDED ENTRY--CORPORATE NAME
Corporate name or jurisdiction name as entry element Institute of Physics (Great Britain),
Relator term publisher.
776 08 - ADDITIONAL PHYSICAL FORM ENTRY
Relationship information Print version:
International Standard Book Number 9781681744162
830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE
Uniform title IOP (Series).
Name of part/section of a work Release 3.
830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE
Uniform title IOP concise physics.
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://iopscience.iop.org/book/978-1-6817-4417-9">https://iopscience.iop.org/book/978-1-6817-4417-9</a>
Holdings
Withdrawn status Lost status Source of classification or shelving scheme Damaged status Not for loan Home library Current library Date acquired Full call number Barcode Date last seen Price effective from Koha item type
    Dewey Decimal Classification     BITS Pilani Hyderabad BITS Pilani Hyderabad 06/09/2019 530.1/594 IOP00022 06/09/2019 06/09/2019 Institue of Physics
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Act,1956 under notification # F.12-23/63.U-2 of Jun 18,1964
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