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Computer simulations in condensed matter . Volume 2 : from materials to chemical biology / / edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder
| Computer simulations in condensed matter . Volume 2 : from materials to chemical biology / / edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder |
| Edizione | [1st ed. 2006.] |
| Pubbl/distr/stampa | Berlin ; ; Heidelberg : , : Springer, , [2006] |
| Descrizione fisica | 1 online resource (607 p.) |
| Disciplina | 530.4/10113 |
| Collana | Lecture Notes in Physics |
| Soggetto topico |
Condensed matter - Computer simulation
Condensed matter |
| ISBN |
1-280-85223-2
9786610852239 3-540-35284-8 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Computer Simulations of Supercooled Liquids -- Numerical Simulations of Spin Glasses: Methods and Some Recent Results -- Dipolar Fluctuations in the Bulk and at Interfaces -- Theory and Simulation of Friction and Lubrication -- Simulation of Nanodroplets on Solid Surfaces: Wetting, Spreading and Bridging -- Monte Carlo Simulations of Compressible Ising Models: Do We Understand Them? -- Computer Simulation of Colloidal Suspensions -- Phase Transitions of Model Colloids in External Fields -- Computer Simulation of Liquid Crystals -- Coarse-Grained Models of Complex Fluids at Equilibrium and Under Shear -- Mesoscopic Simulations of Biological Membranes -- Microscopic Elasticity of Complex Systems -- Mesoscopic Simulations for Problems with Hydrodynamics, with Emphasis on Polymer Dynamics -- Polymer Dynamics: Long Time Simulations and Topological Constraints -- Reaction Kinetics of Coarse-Grained Equilibrium Polymers: A Brownian Dynamics Study -- Equilibration and Coarse-Graining Methods for Polymers -- Drug-Target Binding Investigated by Quantum Mechanical/Molecular Mechanical (QM/MM) Methods -- Redox Free Energies from Vertical Energy Gaps: Ab Initio Molecular Dynamics Implementation -- Advanced Car–Parrinello Techniques: Path Integrals and Nonadiabaticity in Condensed Matter Simulations -- Evolutionary Design in Biological Physics and Materials Science -- Monte-Carlo Methods in Studies of Protein Folding and Evolution. |
| Record Nr. | UNINA-9910146627203321 |
| Berlin ; ; Heidelberg : , : Springer, , [2006] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computer simulations in condensed matter . Volume 2 : from materials to chemical biology / / edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder
| Computer simulations in condensed matter . Volume 2 : from materials to chemical biology / / edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder |
| Edizione | [1st ed. 2006.] |
| Pubbl/distr/stampa | Berlin ; ; Heidelberg : , : Springer, , [2006] |
| Descrizione fisica | 1 online resource (607 p.) |
| Disciplina | 530.4/10113 |
| Collana | Lecture Notes in Physics |
| Soggetto topico |
Condensed matter - Computer simulation
Condensed matter |
| ISBN |
1-280-85223-2
9786610852239 3-540-35284-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Computer Simulations of Supercooled Liquids -- Numerical Simulations of Spin Glasses: Methods and Some Recent Results -- Dipolar Fluctuations in the Bulk and at Interfaces -- Theory and Simulation of Friction and Lubrication -- Simulation of Nanodroplets on Solid Surfaces: Wetting, Spreading and Bridging -- Monte Carlo Simulations of Compressible Ising Models: Do We Understand Them? -- Computer Simulation of Colloidal Suspensions -- Phase Transitions of Model Colloids in External Fields -- Computer Simulation of Liquid Crystals -- Coarse-Grained Models of Complex Fluids at Equilibrium and Under Shear -- Mesoscopic Simulations of Biological Membranes -- Microscopic Elasticity of Complex Systems -- Mesoscopic Simulations for Problems with Hydrodynamics, with Emphasis on Polymer Dynamics -- Polymer Dynamics: Long Time Simulations and Topological Constraints -- Reaction Kinetics of Coarse-Grained Equilibrium Polymers: A Brownian Dynamics Study -- Equilibration and Coarse-Graining Methods for Polymers -- Drug-Target Binding Investigated by Quantum Mechanical/Molecular Mechanical (QM/MM) Methods -- Redox Free Energies from Vertical Energy Gaps: Ab Initio Molecular Dynamics Implementation -- Advanced Car–Parrinello Techniques: Path Integrals and Nonadiabaticity in Condensed Matter Simulations -- Evolutionary Design in Biological Physics and Materials Science -- Monte-Carlo Methods in Studies of Protein Folding and Evolution. |
| Record Nr. | UNISA-996466707603316 |
| Berlin ; ; Heidelberg : , : Springer, , [2006] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Computer simulations in condensed matter systems : from materials to chemical biology / / edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder
| Computer simulations in condensed matter systems : from materials to chemical biology / / edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder |
| Edizione | [1st ed. 2006.] |
| Pubbl/distr/stampa | Berlin, Germany ; ; New York, New York : , : Springer-Verlag, , [2006] |
| Descrizione fisica | 1 online resource (715 p.) |
| Disciplina | 530.410113 |
| Collana | Lecture Notes in Physics |
| Soggetto topico | Condensed matter - Computer simulation |
| ISBN |
1-280-80517-X
9786610805174 3-540-35273-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction: Condensed Matter Theory by Computer Simulation -- Transition Path Sampling Methods -- Sampling Kinetic Protein Folding Pathways using All-Atom Models -- Calculation of Classical Trajectories with Boundary Value Formulation -- Transition Path Theory -- Multiscale Modelling in Molecular Dynamics: Biomolecular Conformations as Metastable States -- Transport Coefficients of Quantum-Classical Systems -- Linearized Path Integral Methods for Quantum Time Correlation Functions -- Ensemble Optimization Techniques for Classical and Quantum Systems -- The Coupled Electron-Ion Monte Carlo Method -- Path Resummations and the Fermion Sign Problem -- to Cluster Monte Carlo Algorithms -- Generic Sampling Strategies for Monte Carlo Simulation of Phase Behaviour -- Simulation Techniques for Calculating Free Energies -- Waste-Recycling Monte Carlo -- Equilibrium Statistical Mechanics, Non-Hamiltonian Molecular Dynamics, and Novel Applications from Resonance-Free Timesteps to Adiabatic Free Energy Dynamics -- Simulating Charged Systems with ESPResSo -- Density Functional Theory Based Ab Initio Molecular Dynamics Using the Car-Parrinello Approach -- Large Scale Condensed Matter Calculations using the Gaussian and Augmented Plane Waves Method -- Computing Free Energies and Accelerating Rare Events with Metadynamics. |
| Record Nr. | UNINA-9910146627503321 |
| Berlin, Germany ; ; New York, New York : , : Springer-Verlag, , [2006] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computer simulations in condensed matter systems : from materials to chemical biology / / edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder
| Computer simulations in condensed matter systems : from materials to chemical biology / / edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder |
| Edizione | [1st ed. 2006.] |
| Pubbl/distr/stampa | Berlin, Germany ; ; New York, New York : , : Springer-Verlag, , [2006] |
| Descrizione fisica | 1 online resource (715 p.) |
| Disciplina | 530.410113 |
| Collana | Lecture Notes in Physics |
| Soggetto topico | Condensed matter - Computer simulation |
| ISBN |
1-280-80517-X
9786610805174 3-540-35273-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction: Condensed Matter Theory by Computer Simulation -- Transition Path Sampling Methods -- Sampling Kinetic Protein Folding Pathways using All-Atom Models -- Calculation of Classical Trajectories with Boundary Value Formulation -- Transition Path Theory -- Multiscale Modelling in Molecular Dynamics: Biomolecular Conformations as Metastable States -- Transport Coefficients of Quantum-Classical Systems -- Linearized Path Integral Methods for Quantum Time Correlation Functions -- Ensemble Optimization Techniques for Classical and Quantum Systems -- The Coupled Electron-Ion Monte Carlo Method -- Path Resummations and the Fermion Sign Problem -- to Cluster Monte Carlo Algorithms -- Generic Sampling Strategies for Monte Carlo Simulation of Phase Behaviour -- Simulation Techniques for Calculating Free Energies -- Waste-Recycling Monte Carlo -- Equilibrium Statistical Mechanics, Non-Hamiltonian Molecular Dynamics, and Novel Applications from Resonance-Free Timesteps to Adiabatic Free Energy Dynamics -- Simulating Charged Systems with ESPResSo -- Density Functional Theory Based Ab Initio Molecular Dynamics Using the Car-Parrinello Approach -- Large Scale Condensed Matter Calculations using the Gaussian and Augmented Plane Waves Method -- Computing Free Energies and Accelerating Rare Events with Metadynamics. |
| Record Nr. | UNISA-996466708703316 |
| Berlin, Germany ; ; New York, New York : , : Springer-Verlag, , [2006] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||