Coverart for item
The Resource Computational approaches in physics, Maria Fyta

Computational approaches in physics, Maria Fyta

Label
Computational approaches in physics
Title
Computational approaches in physics
Statement of responsibility
Maria Fyta
Creator
Contributor
Author
Publisher
Subject
Language
eng
Summary
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
Member of
Additional physical form
Also available in print.
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.
Cataloging source
CaBNVSL
http://library.link/vocab/creatorName
Fyra, Maria
Dewey number
530.1/594
Illustrations
illustrations
Index
no index present
Intended audience
Advanced students and researchers
LC call number
QC6
LC item number
.F973 2016eb
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/relatedWorkOrContributorName
  • Morgan & Claypool Publishers
  • Institute of Physics (Great Britain)
Series statement
  • IOP release 3
  • IOP concise physics,
http://library.link/vocab/subjectName
  • Physics
  • Mathematical physics
  • Mathematical Physics
  • SCIENCE
  • Mathematical physics
  • Physics
Target audience
adult
Label
Computational approaches in physics, Maria Fyta
Instantiates
Publication
Distribution
Note
  • "Version: 20161001"--Title page verso
  • "A Morgan & Claypool publication as part of IOP Concise Physics"--Title page verso
  • Title from PDF title page (viewed on November 2, 2016)
Bibliography note
Includes bibliographical references
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • Preface -- 1. Introduction -- 1.1. Computational physics
  • 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
  • 3. Atomistic methods -- 3.1. Classical molecular dynamics -- 3.2. Setting environment conditions -- 3.3. Integration schemes -- 3.4. General remarks on MD
  • 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
  • 5. Mesoscopic particle methods -- 5.1. Simulation of fluids -- 5.2. Continuum methods -- 5.3. Dissipative particle dynamics -- 5.4. Lattice methods
  • 6. The Monte Carlo method -- 6.1. Random numbers -- 6.2. Classical Monte Carlo -- 6.3. Quantum Monte Carlo (QMC)
  • 7. Multiscale, hybrid, and coarse-grained methods -- 7.1. Coarse-graining -- 7.2. Multiscale or hybrid schemes
  • 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
Control code
962421507
Dimensions
unknown
Extent
1 PDF (various pagings)
File format
multiple file formats
Form of item
online
Isbn
9781681744179
Media category
electronic
Media MARC source
isbdmedia
Other control number
10.1088/978-1-6817-4417-9
Other physical details
illustrations (some color).
Reformatting quality
access
Specific material designation
remote
System control number
(OCoLC)962421507
System details
  • Mode of access: World Wide Web
  • System requirements: Adobe Acrobat Reader
Label
Computational approaches in physics, Maria Fyta
Publication
Distribution
Note
  • "Version: 20161001"--Title page verso
  • "A Morgan & Claypool publication as part of IOP Concise Physics"--Title page verso
  • Title from PDF title page (viewed on November 2, 2016)
Bibliography note
Includes bibliographical references
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • Preface -- 1. Introduction -- 1.1. Computational physics
  • 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
  • 3. Atomistic methods -- 3.1. Classical molecular dynamics -- 3.2. Setting environment conditions -- 3.3. Integration schemes -- 3.4. General remarks on MD
  • 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
  • 5. Mesoscopic particle methods -- 5.1. Simulation of fluids -- 5.2. Continuum methods -- 5.3. Dissipative particle dynamics -- 5.4. Lattice methods
  • 6. The Monte Carlo method -- 6.1. Random numbers -- 6.2. Classical Monte Carlo -- 6.3. Quantum Monte Carlo (QMC)
  • 7. Multiscale, hybrid, and coarse-grained methods -- 7.1. Coarse-graining -- 7.2. Multiscale or hybrid schemes
  • 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
Control code
962421507
Dimensions
unknown
Extent
1 PDF (various pagings)
File format
multiple file formats
Form of item
online
Isbn
9781681744179
Media category
electronic
Media MARC source
isbdmedia
Other control number
10.1088/978-1-6817-4417-9
Other physical details
illustrations (some color).
Reformatting quality
access
Specific material designation
remote
System control number
(OCoLC)962421507
System details
  • Mode of access: World Wide Web
  • System requirements: Adobe Acrobat Reader

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