TitleComputer simulations in condensed matter systems : from materials to chemical biology
Author(s)Mauro Ferrario;Giovanni Ciccotti;Kurt Binder
PublicationBerlin, Springer, 2006.
Description1 online resource (1 v.) : ill. (some col.)
Contents NoteIntroduction: condensed matter theory by computer simulation / G. Ciccotti, K. Binder, and M. Ferrario -- Introduction to cluster Monte Carlo Algorithms / E. Luijten -- Generic sampling strategies for Monte Carlo simulation of phase behaviour / N.B. Wilding -- Simulation techniques for calculating free energies / M. M�uller and J.J. de Pablo -- Waste-recycling Monte Carlo / D. Frenkel -- Equilibrium statistical mechanics, non-Hamiltonian molecular dynamics, and novel applications from resonance-free timesteps to adiabatic free energy dynamics / J.B. Abrams, M.E. Tuckerman, and G.J. Martyna -- Simulating charged systems with ESPResSo / A. Arnold, B.A.F. Mann, and Christian Holm -- Density functional theory based Ab Initio molecular dynamics using the car-parrinello approach / R. Vuilleumier -- Large scale condensed matter calculations using the Gaussian and augmented plane waves method / J. Vande Vondele, M. Iannuzzi, and J. Hutter -- Computing free energies and accelerating rare events with metadynamics / A. Laio and M. Parrinello -- Transition path sampling methods / C. Dellago, P.G. Bolhuis, and P.L. Geissler -- Sampling Kinetic protein folding pathways using all-atom models / P.G. Bolhuis -- Calculation of classical trajectories with boundary value formulation / R. Elber -- Transition path theory / E. Vanden-Eijnden -- Multiscale modelling in molecular dynamics: biomolecular conformations as metastable states / E. Meerbach ... [et al.] -- Transport coefficients of quantum-classical systems / R. Kapral and G. Ciccotti -- Linearized path integral methods for quantum time correlation functions / D.F. Coker and S. Bonella -- Ensemble optimization techniques for classical and quantum systems / S. Trebst and M. Troyer -- The coupled electron-ion Monte Carlo method / C. Pierleoni and D.M. Ceperley -- Path resummations and the fermion sign problem / A. Alavi and A.J.W. Thom
NotesProceedings of a school held at the Ettore Majorana Foundation and Center for Scientific Culture, Erice, Sicily in July 2005. -Includes bibliographical references and indexes
Keyword(s)1. Computational Science and Engineering 2. CONDENSED MATTER 3. EBOOK 4. EBOOK - SPRINGER 5. MATERIALS SCIENCE 6. Numerical and Computational Methods 7. PHYSICS 8. SCIENCE 9. STATISTICAL PHYSICS 10. Theoretical and Computational Chemistry
Item TypeeBook
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