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...

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Detaylı Bibliyografya
Yazar: Ferrario, Mauro
Diğer Yazarlar: Ciccotti, Giovanni (Yayın yönetmeni), Binder, Kurt, 1944- (Yayın yönetmeni)
Materyal Türü: Livre numérique
Dil:Anglais
Baskı/Yayın Bilgisi: Berlin, Heidelberg : Springer Berlin Heidelberg [20..].
Cham : Springer Nature
Edisyon:1st ed. 2006.
Seri Bilgileri:Lecture Notes in Physics 703
Konular:
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Not: 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
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505 1 |a 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 
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520 |a 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 statistical mechanical systems of condensed matter. It will enable the graduate student and both the specialist and nonspecialist researcher to get acquainted with the tools necessary to carry out numerical simulations at an advanced level. Volume 2 published as LNP 704 (ISBN 3-540-35283-X) is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology 
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