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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 | ||
| ||
Reliability of MEMS [[electronic resource] ] : testing of materials and devices / / edited by Osamu Tabata, Toshiyuki Tsuchiya
| Reliability of MEMS [[electronic resource] ] : testing of materials and devices / / edited by Osamu Tabata, Toshiyuki Tsuchiya |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, 2013 |
| Descrizione fisica | 1 online resource (325 p.) |
| Disciplina | 539.60113 |
| Altri autori (Persone) |
TabataOsamu
TsuchiyaToshiyuki |
| Collana | Advanced micro & nanosystems |
| Soggetto topico | Microelectromechanical systems - Reliability |
| Soggetto genere / forma | Electronic books. |
| ISBN | 3-527-67503-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Title Page; Preface; Foreword; Contents; List of Contributors; Overview; 1 Evaluation of Mechanical Properties of MEMS Materials and Their Standardization; 2 Elastoplastic Indentation Contact Mechanics of Homogeneous Materials and Coating - Substrate Systems; 3 Thin film Characterization Using the Bulge Test; 4 Uniaxial Tensile Test for MEMS Materials; 5 On chip Testing of MEMS; 6 Reliability of a Capacitive Pressure Sensor; 7 Inertial Sensors; 8 High accuracy, High reliability MEMS Accelerometer; 9 Reliability of MEMS Variable Optical Attenuator; 10 Eco Scan MEMS Resonant Mirror; Index |
| Record Nr. | UNINA-9910462702003321 |
| Weinheim, : Wiley-VCH, 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Reliability of MEMS [[electronic resource] ] : testing of materials and devices / / edited by Osamu Tabata, Toshiyuki Tsuchiya
| Reliability of MEMS [[electronic resource] ] : testing of materials and devices / / edited by Osamu Tabata, Toshiyuki Tsuchiya |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, 2013 |
| Descrizione fisica | 1 online resource (325 p.) |
| Disciplina | 539.60113 |
| Altri autori (Persone) |
TabataOsamu
TsuchiyaToshiyuki |
| Collana | Advanced micro & nanosystems |
| Soggetto topico | Microelectromechanical systems - Reliability |
| ISBN | 3-527-67503-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Title Page; Preface; Foreword; Contents; List of Contributors; Overview; 1 Evaluation of Mechanical Properties of MEMS Materials and Their Standardization; 2 Elastoplastic Indentation Contact Mechanics of Homogeneous Materials and Coating - Substrate Systems; 3 Thin film Characterization Using the Bulge Test; 4 Uniaxial Tensile Test for MEMS Materials; 5 On chip Testing of MEMS; 6 Reliability of a Capacitive Pressure Sensor; 7 Inertial Sensors; 8 High accuracy, High reliability MEMS Accelerometer; 9 Reliability of MEMS Variable Optical Attenuator; 10 Eco Scan MEMS Resonant Mirror; Index |
| Record Nr. | UNINA-9910786109203321 |
| Weinheim, : Wiley-VCH, 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Reliability of MEMS : testing of materials and devices / / edited by Osamu Tabata, Toshiyuki Tsuchiya
| Reliability of MEMS : testing of materials and devices / / edited by Osamu Tabata, Toshiyuki Tsuchiya |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, 2013 |
| Descrizione fisica | 1 online resource (325 p.) |
| Disciplina | 539.60113 |
| Altri autori (Persone) |
TabataOsamu
TsuchiyaToshiyuki |
| Collana | Advanced micro & nanosystems |
| Soggetto topico | Microelectromechanical systems - Reliability |
| ISBN | 3-527-67503-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Title Page; Preface; Foreword; Contents; List of Contributors; Overview; 1 Evaluation of Mechanical Properties of MEMS Materials and Their Standardization; 2 Elastoplastic Indentation Contact Mechanics of Homogeneous Materials and Coating - Substrate Systems; 3 Thin film Characterization Using the Bulge Test; 4 Uniaxial Tensile Test for MEMS Materials; 5 On chip Testing of MEMS; 6 Reliability of a Capacitive Pressure Sensor; 7 Inertial Sensors; 8 High accuracy, High reliability MEMS Accelerometer; 9 Reliability of MEMS Variable Optical Attenuator; 10 Eco Scan MEMS Resonant Mirror; Index |
| Record Nr. | UNINA-9910814657603321 |
| Weinheim, : Wiley-VCH, 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Understanding molecular simulation [Risorsa elettronica] : from algorithms to applications / Daan Frenkel and Berend Smit
| Understanding molecular simulation [Risorsa elettronica] : from algorithms to applications / Daan Frenkel and Berend Smit |
| Autore | Frenkel, Daan <1948- > |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | San Diego : Academic Press, c2002 |
| Disciplina | 539.60113 |
| Altri autori (Persone) | Smit, Berend <1962- > |
| Collana | Computational science series |
| Soggetto non controllato |
Molecole - Modelli matematici
Forze intermolecolari |
| ISBN | 978-0-12267351-1 |
| Formato | Risorse elettroniche  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-990009588200403321 |
Frenkel, Daan <1948- >
|
||
| San Diego : Academic Press, c2002 | ||
| Risorse elettroniche | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Understanding molecular simulation : from algorithms to applications / Daan Frenkel, Berend Smit
| Understanding molecular simulation : from algorithms to applications / Daan Frenkel, Berend Smit |
| Autore | FRENKEL, Daan |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | San Diego[etc.] : Academic press, 2002 |
| Descrizione fisica | XXII, 638 p. : ill. ; 24 cm |
| Disciplina | 539.60113 |
| Altri autori (Persone) | SMIT, Berend |
| Soggetto topico | Molecola - Modelli matematici |
| ISBN | 0-12-267351-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | us |
| Record Nr. | UNISA-990002922050203316 |
|
FRENKEL, Daan
|
||
| San Diego[etc.] : Academic press, 2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Understanding molecular simulation : from algorithms to applications / / Daan Frenkel, Berend Smit
| Understanding molecular simulation : from algorithms to applications / / Daan Frenkel, Berend Smit |
| Autore | Frenkel Daan <1948-> |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | San Diego, : Academic Press, c2002 |
| Descrizione fisica | 1 online resource (661 p.) |
| Disciplina |
539/.6/0113
539.60113 |
| Altri autori (Persone) | SmitBerend <1962-> |
| Collana | Computational science series |
| Soggetto topico |
Intermolecular forces - Computer simulation
Molecules - Mathematical models |
| ISBN |
1-281-01974-7
9786611019747 0-08-051998-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Understanding Molecular Simulation: From Algorithms to Applications; Copyright Page; Contents; Preface to the Second Edition; Preface; List of Symbols; Chapter 1. Introduction; Part I: Basics; Chapter 2. Statistical Mechanics; 2.1 Entropy and Temperature; 2.2 Classical Statistical Mechanics; 2.3 Questions and Exercises; Chapter 3. Monte Carlo Simulations; 3.1 The Monte Carlo Method; 3.2 A Basic Monte Carlo Algorithm; 3.3 Trial Moves; 3.4 Applications; 3.5 Questions and Exercises; Chapter 4. Molecular Dynamics Simulations; 4.1 Molecular Dynamics: The Idea
4.2 Molecular Dynamics: A Program4.3 Equations of Motion; 4.4 Computer Experiments; 4.5 Some Applications; 4.6 Questions and Exercises; Part II: Ensembles; Chapter 5. Monte Carlo Simulations in Various Ensembles; 5.1 General Approach; 5.2 Canonical Ensemble; 5.3 Microcanonical Monte Carlo; 5.4 Isobaric-Isothermal Ensemble; 5.5 Isotension-Isothermal Ensemble; 5.6 Grand-Canonical Ensemble; 5.7 Questions and Exercises; Chapter 6. Molecular Dynamics in Various Ensembles; 6.1 Molecular Dynamics at Constant Temperature; 6.2 Molecular Dynamics at Constant Pressure; 6.3 Questions and Exercises Part III: Free Energies and Phase EquilibriaChapter 7. Free Energy Calculations; 7.1 Thermodynamic Integration; 7.2 Chemical Potentials; 7.3 Other Free Energy Methods; 7.4 Umbrella Sampling; 7.5 Questions and Exercises; Chapter 8. The Gibbs Ensemble; 8.1 The Gibbs Ensemble Technique; 8.2 The Partition Function; 8.3 Monte Carlo Simulations; 8.4 Applications; 8.5 Questions and Exercises; Chapter 9. Other Methods to Study Coexistence; 9.1 Semigrand Ensemble; 9.2 Tracing Coexistence Curves; Chapter 10. Free Energies of Solids; 10.1 Thermodynamic Integration; 10.2 Free Energies of Solids 10.3 Free Energies of Molecular Solids10.4 Vacancies and Interstitials; Chapter 11. Free Energy of Chain Molecules; 11.1 Chemical Potential as Reversible Work; 11.2 Rosenbluth Sampling; Part IV: Advanced Techniques; Chapter 12. Long-Range Interactions; 12.1 Ewald Sums; 12.2 Fast Multipole Method; 12.3 Particle Mesh Approaches; 12.4 Ewald Summation in a Slab Geometry; Chapter 13. Biased Monte Carlo Schemes; 13.1 Biased Sampling Techniques; 13.2 Chain Molecules; 13.3 Generation of Trial Orientations; 13.4 Fixed Endpoints; 13.5 Beyond Polymers; 13.6 Other Ensembles; 13.7 Recoil Growth 13.8 Questions and ExercisesChapter 14. Accelerating Monte Carlo Sampling; 14.1 Parallel Tempering; 14.2 Hybrid Monte Carlo; 14.3 Cluster Moves; Chapter 15. Tackling Time-Scale Problems; 15.1 Constraints; 15.2 On-the-Fly Optimization: Car-Parrinello Approach; 15.3 Multiple Time Steps; Chapter 16. Rare Events; 16.1 Theoretical Background; 16.2 Bennett-Chandler Approach; 16.3 Diffusive Barrier Crossing; 16.4 Transition Path Ensemble; 16.5 Searching for the Saddle Point; Chapter 17. Dissipative Particle Dynamics; 17.1 Description of the Technique; 17.2 Other Coarse-Grained Techniques Part V: Appendices |
| Record Nr. | UNINA-9910458817003321 |
|
Frenkel Daan <1948->
|
||
| San Diego, : Academic Press, c2002 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Understanding molecular simulation : from algorithms to applications / Daan Frenkel, Berend Smit
| Understanding molecular simulation : from algorithms to applications / Daan Frenkel, Berend Smit |
| Autore | FRENKEL, Daan |
| Pubbl/distr/stampa | San Diego [etc.] : Academic press, copyr. 1996 |
| Descrizione fisica | XVIII, 444 p. ; 24 cm. |
| Disciplina | 539.60113 |
| Altri autori (Persone) | SMIT, Berend |
| Soggetto topico |
Molecola - Struttura - Simulazione
Molecole - Modelli matematici |
| ISBN | 0-12-267370-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISA-990001325570203316 |
|
FRENKEL, Daan
|
||
| San Diego [etc.] : Academic press, copyr. 1996 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||