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Bridging time scales : molecular simulations for the next decade / / P. Nielaba, M. Mareschal, G. Ciccotti (editors)
| Bridging time scales : molecular simulations for the next decade / / P. Nielaba, M. Mareschal, G. Ciccotti (editors) |
| Edizione | [1st ed. 2002.] |
| Pubbl/distr/stampa | Berlin, Germany ; ; New York, New York : , : Springer-Verlag, , [2002] |
| Descrizione fisica | 1 online resource (497 p.) |
| Disciplina | 539.60113 |
| Collana | Lecture Notes in Physics |
| Soggetto topico |
Chemistry, Physical and theoretical - Computer simulation
Molecular dynamics - Computer simulation Molecules - Computer simulation |
| ISBN | 3-540-45837-9 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 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. |
| Record Nr. | UNINA-9910139808903321 |
| Berlin, Germany ; ; New York, New York : , : Springer-Verlag, , [2002] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Bridging time scales : molecular simulations for the next decade / / P. Nielaba, M. Mareschal, G. Ciccotti (editors)
| Bridging time scales : molecular simulations for the next decade / / P. Nielaba, M. Mareschal, G. Ciccotti (editors) |
| Edizione | [1st ed. 2002.] |
| Pubbl/distr/stampa | Berlin, Germany ; ; New York, New York : , : Springer-Verlag, , [2002] |
| Descrizione fisica | 1 online resource (497 p.) |
| Disciplina | 539.60113 |
| Collana | Lecture Notes in Physics |
| Soggetto topico |
Chemistry, Physical and theoretical - Computer simulation
Molecular dynamics - Computer simulation Molecules - Computer simulation |
| ISBN | 3-540-45837-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 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. |
| Record Nr. | UNISA-996466712703316 |
| Berlin, Germany ; ; New York, New York : , : Springer-Verlag, , [2002] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Bridging time scales : molecular simulations for the next decade / P. Nielaba, M. Mareschal, G. Ciccotti (eds.)
| Bridging time scales : molecular simulations for the next decade / P. Nielaba, M. Mareschal, G. Ciccotti (eds.) |
| Pubbl/distr/stampa | Berlin ; New York : Springer, c2002 |
| Descrizione fisica | xxvi, 500 p. : ill. ; 24 cm |
| Disciplina | 539.60113 |
| Altri autori (Persone) |
Nielaba, Peter
Mareschal, Michel |
| Collana | Lecture notes in physics, 0075-8450 ; 605 |
| Soggetto topico |
Molecules - Computer simulation
Molecular dynamics - Computer simulation Chemistry, Physical and theoretical - Computer simulation |
| ISBN | 3540443177 |
| Classificazione |
LC QC173.39
53.5.42 510.65 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISALENTO-991000736139707536 |
| Berlin ; New York : Springer, c2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. del Salento | ||
| ||
Frontiers in computational chemistry . Volume 1 : computer applications for drug design and biomolecular systems / / edited by Zaheer Ul-Haq & Jeffry D. Madura ; contributors, Adam K. Sieradzan [and twenty-nine others]
| Frontiers in computational chemistry . Volume 1 : computer applications for drug design and biomolecular systems / / edited by Zaheer Ul-Haq & Jeffry D. Madura ; contributors, Adam K. Sieradzan [and twenty-nine others] |
| Pubbl/distr/stampa | Amsterdam, Netherlands : , : Elsevier, , 2015 |
| Descrizione fisica | 1 online resource (359 p.) |
| Disciplina | 541.0113 |
| Collana | Frontiers in Computational Chemistry |
| Soggetto topico |
Chemistry, Physical and theoretical - Computer simulation
Chemistry, Physical and theoretical - Mathematics Chemistry - Data processing |
| ISBN | 1-60805-864-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Cover; Title; EUL; Contents; Preface; List of Contributors; Chapter 01; Chapter 02; Chapter 03; Chapter 04; Chapter 05; Chapter 06; Chapter 07; Chapter 08; Index; Back Cover |
| Record Nr. | UNINA-9910797070503321 |
| Amsterdam, Netherlands : , : Elsevier, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Frontiers in computational chemistry . Volume 1 : computer applications for drug design and biomolecular systems / / edited by Zaheer Ul-Haq & Jeffry D. Madura ; contributors, Adam K. Sieradzan [and twenty-nine others]
| Frontiers in computational chemistry . Volume 1 : computer applications for drug design and biomolecular systems / / edited by Zaheer Ul-Haq & Jeffry D. Madura ; contributors, Adam K. Sieradzan [and twenty-nine others] |
| Pubbl/distr/stampa | Amsterdam, Netherlands : , : Elsevier, , 2015 |
| Descrizione fisica | 1 online resource (359 p.) |
| Disciplina | 541.0113 |
| Collana | Frontiers in Computational Chemistry |
| Soggetto topico |
Chemistry, Physical and theoretical - Computer simulation
Chemistry, Physical and theoretical - Mathematics Chemistry - Data processing |
| ISBN | 1-60805-864-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Cover; Title; EUL; Contents; Preface; List of Contributors; Chapter 01; Chapter 02; Chapter 03; Chapter 04; Chapter 05; Chapter 06; Chapter 07; Chapter 08; Index; Back Cover |
| Record Nr. | UNINA-9910809760403321 |
| Amsterdam, Netherlands : , : Elsevier, , 2015 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
