The Resource Bridging the Time Scales : Molecular Simulations for the Next Decade, edited by Peter Nielaba, Michel Mareschal, Giovanni Ciccotti, (electronic resource)

Bridging the Time Scales : Molecular Simulations for the Next Decade, edited by Peter Nielaba, Michel Mareschal, Giovanni Ciccotti, (electronic resource)

Label
Bridging the Time Scales : Molecular Simulations for the Next Decade
Title
Bridging the Time Scales
Title remainder
Molecular Simulations for the Next Decade
Statement of responsibility
edited by Peter Nielaba, Michel Mareschal, Giovanni Ciccotti
Contributor
Editor
Editor
Subject
Language
  • eng
  • eng
Summary
The behaviour of many complex materials extends over time- and lengthscales well beyond those that can normally be described using standard molecular dynamics or Monte Carlo simulation techniques. As progress is coming more through refined simulation methods than from increased computer power, this volume is intended as both an introduction and a review of all relevant modern methods that will shape molecular simulation in the forthcoming decade. Written as a set of tutorial reviews, the book will be of use to specialists and nonspecialists alike
Member of
Dewey number
539/.6/0113
http://bibfra.me/vocab/relation/httpidlocgovvocabularyrelatorsedt
  • 0fAzCcNzLHI
  • GWmy0iDkss4
  • YxK0JgpriVo
Language note
English
LC call number
QC19.2-20.85
Literary form
non fiction
Nature of contents
dictionaries
http://library.link/vocab/relatedWorkOrContributorName
  • Nielaba, Peter.
  • Mareschal, Michel.
  • Ciccotti, Giovanni.
Series statement
Lecture Notes in Physics,
Series volume
605
http://library.link/vocab/subjectName
  • Chemistry
  • Polymers
  • Chemistry, Physical organic
  • Theoretical, Mathematical and Computational Physics
  • Soft and Granular Matter, Complex Fluids and Microfluidics
  • Biological and Medical Physics, Biophysics
  • Theoretical and Computational Chemistry
  • Polymer Sciences
  • Physical Chemistry
Label
Bridging the Time Scales : Molecular Simulations for the Next Decade, edited by Peter Nielaba, Michel Mareschal, Giovanni Ciccotti, (electronic resource)
Instantiates
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references
Carrier category
online resource
Carrier category code
  • cr
Content category
text
Content type code
  • txt
Contents
Protein Folding -- Sidechain Dynamics and Protein Folding -- Applications of Statistical Mechanics to Biological Systems -- A Coarse Grain Model for Lipid Monolayer and Bilayer Studies -- Polymer Structure and Dynamics -- Variable-Connectivity Monte Carlo Algorithms for the Atomistic Simulation of Long-Chain Polymer Systems -- Bridging the Time Scale Gap: How Does Foldable Polymer Navigate Its Conformation Space? -- Multiscale Computer Simulations for Polymeric Materials in Bulk and Near Surfaces -- Complex and Mesoscopic Fluids -- Effective Interactions for Large-Scale Simulations of Complex Fluids -- Slow Dynamics and Reactivity -- Simulation of Models for the Glass Transition: Is There Progress? -- Lattice Models -- Monte Carlo Methods for Bridging the Timescale Gap -- Go-with-the-Flow Lattice Boltzmann Methods for Tracer Dynamics -- Multiscale Modelling in Materials Science -- Atomistic Simulations of Solid Friction -- Methodological Developments in MD and MC -- Bridging the Time Scale Gap with Transition Path Sampling -- The Stochastic Difference Equation as a Tool to Compute Long Time Dynamics -- Numerical Simulations of Molecular Systems with Long Range Interactions -- Perpectives in ab initio MD -- New Developments in Plane-Wave Based ab initio Calculations -- Time and Length Scales in ab initio Molecular Dynamics -- Quantum Simulations -- A Statistical Mechanical Theory of Quantum Dynamics in Classical Environments -- The Coupled Electronic-Ionic Monte Carlo Simulation Method
Dimensions
unknown
Edition
1st ed. 2002.
Extent
1 online resource (497 p.)
Form of item
online
Isbn
9783540458371
Media category
computer
Media type code
  • c
Other control number
10.1007/3-540-45837-9
Specific material designation
remote
System control number
  • (CKB)1000000000778062
  • (EBL)3061856
  • (SSID)ssj0000321700
  • (PQKBManifestationID)11257598
  • (PQKBTitleCode)TC0000321700
  • (PQKBWorkID)10279793
  • (PQKB)10559586
  • (DE-He213)978-3-540-45837-1
  • (MiAaPQ)EBC3061856
  • (EXLCZ)991000000000778062
Label
Bridging the Time Scales : Molecular Simulations for the Next Decade, edited by Peter Nielaba, Michel Mareschal, Giovanni Ciccotti, (electronic resource)
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references
Carrier category
online resource
Carrier category code
  • cr
Content category
text
Content type code
  • txt
Contents
Protein Folding -- Sidechain Dynamics and Protein Folding -- Applications of Statistical Mechanics to Biological Systems -- A Coarse Grain Model for Lipid Monolayer and Bilayer Studies -- Polymer Structure and Dynamics -- Variable-Connectivity Monte Carlo Algorithms for the Atomistic Simulation of Long-Chain Polymer Systems -- Bridging the Time Scale Gap: How Does Foldable Polymer Navigate Its Conformation Space? -- Multiscale Computer Simulations for Polymeric Materials in Bulk and Near Surfaces -- Complex and Mesoscopic Fluids -- Effective Interactions for Large-Scale Simulations of Complex Fluids -- Slow Dynamics and Reactivity -- Simulation of Models for the Glass Transition: Is There Progress? -- Lattice Models -- Monte Carlo Methods for Bridging the Timescale Gap -- Go-with-the-Flow Lattice Boltzmann Methods for Tracer Dynamics -- Multiscale Modelling in Materials Science -- Atomistic Simulations of Solid Friction -- Methodological Developments in MD and MC -- Bridging the Time Scale Gap with Transition Path Sampling -- The Stochastic Difference Equation as a Tool to Compute Long Time Dynamics -- Numerical Simulations of Molecular Systems with Long Range Interactions -- Perpectives in ab initio MD -- New Developments in Plane-Wave Based ab initio Calculations -- Time and Length Scales in ab initio Molecular Dynamics -- Quantum Simulations -- A Statistical Mechanical Theory of Quantum Dynamics in Classical Environments -- The Coupled Electronic-Ionic Monte Carlo Simulation Method
Dimensions
unknown
Edition
1st ed. 2002.
Extent
1 online resource (497 p.)
Form of item
online
Isbn
9783540458371
Media category
computer
Media type code
  • c
Other control number
10.1007/3-540-45837-9
Specific material designation
remote
System control number
  • (CKB)1000000000778062
  • (EBL)3061856
  • (SSID)ssj0000321700
  • (PQKBManifestationID)11257598
  • (PQKBTitleCode)TC0000321700
  • (PQKBWorkID)10279793
  • (PQKB)10559586
  • (DE-He213)978-3-540-45837-1
  • (MiAaPQ)EBC3061856
  • (EXLCZ)991000000000778062

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