LEADER 04190nam 2200661 450 001 996466712703316 005 20220228161306.0 010 $a3-540-45837-9 024 7 $a10.1007/3-540-45837-9 035 $a(CKB)1000000000778062 035 $a(EBL)3061856 035 $a(SSID)ssj0000321700 035 $a(PQKBManifestationID)11257598 035 $a(PQKBTitleCode)TC0000321700 035 $a(PQKBWorkID)10279793 035 $a(PQKB)10559586 035 $a(DE-He213)978-3-540-45837-1 035 $a(MiAaPQ)EBC3061856 035 $a(MiAaPQ)EBC6853454 035 $a(Au-PeEL)EBL6853454 035 $a(OCoLC)1170896996 035 $a(PPN)155172263 035 $a(EXLCZ)991000000000778062 100 $a20220228d2002 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aBridging time scales $emolecular simulations for the next decade /$fP. Nielaba, M. Mareschal, G. Ciccotti (editors) 205 $a1st ed. 2002. 210 1$aBerlin, Germany ;$aNew York, New York :$cSpringer-Verlag,$d[2002] 210 4$dİ2002 215 $a1 online resource (497 p.) 225 1 $aLecture Notes in Physics,$x0075-8450 ;$v605 300 $aDescription based upon print version of record. 311 $a3-540-44317-7 320 $aIncludes bibliographical references. 327 $aProtein 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. 330 $aThe behaviour of many complex materials extends over time- and lengthscales well beyond those that can normally be described using standard molecular dynamics or Monte Carlo simulation techniques. As progress is coming more through refined simulation methods than from increased computer power, this volume is intended as both an introduction and a review of all relevant modern methods that will shape molecular simulation in the forthcoming decade. Written as a set of tutorial reviews, the book will be of use to specialists and nonspecialists alike. 410 0$aLecture Notes in Physics,$x0075-8450 ;$v605 606 $aChemistry, Physical and theoretical$xComputer simulation 606 $aMolecular dynamics$xComputer simulation 606 $aMolecules$xComputer simulation 615 0$aChemistry, Physical and theoretical$xComputer simulation. 615 0$aMolecular dynamics$xComputer simulation. 615 0$aMolecules$xComputer simulation. 676 $a539.60113 702 $aMareschal$b Michel 702 $aCiccotti$b Giovanni 702 $aNielaba$b P$g(Peter),$f1959- 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a996466712703316 996 $aBridging time scales$91106322 997 $aUNISA