Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1
This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1 is an in-depth introduction to a vast spectrum of computational techniques for st...
Salvato in:
| Autore principale: | |
|---|---|
| Altri autori: | , |
| Natura: | Livre numérique |
| Lingua: | Anglais |
| Pubblicazione: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Edizione: | 1st ed. 2006. |
| Serie: | Lecture Notes in Physics
703 |
| Soggetti: | |
| Accesso online: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Nota: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Computer simulations in condensed matter system9, from materials to chemical biology, [edited by] Mauro Ferrario, Giovanni Ciccotti, Kurt Binder, 2006, Berlin, Springer, 2 vol. (XVI-711, 598 p.), Lecture notes in physics, 978-3-540-35270-9 • Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1, Texte imprimé, 9783540825548 • Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1, Texte imprimé, 9783662500620 |
Sommario:
- 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