| 000 | 04628nam a22005655i 4500 | ||
|---|---|---|---|
| 001 | 978-3-540-35273-0 | ||
| 003 | DE-He213 | ||
| 005 | 20190213151050.0 | ||
| 007 | cr nn 008mamaa | ||
| 008 | 100301s2006 gw | s |||| 0|eng d | ||
| 020 |
_a9783540352730 _9978-3-540-35273-0 |
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| 024 | 7 |
_a10.1007/3-540-35273-2 _2doi |
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| 050 | 4 | _aQC173.45-173.458 | |
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_aPHF _2bicssc |
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_aPHF _2thema |
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| 082 | 0 | 4 |
_a530.41 _223 |
| 245 | 1 | 0 |
_aComputer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 _h[electronic resource] / _cedited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder. |
| 264 | 1 |
_aBerlin, Heidelberg : _bSpringer Berlin Heidelberg, _c2006. |
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| 300 |
_aXVI, 713 p. _bonline resource. |
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| 336 |
_atext _btxt _2rdacontent |
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| 337 |
_acomputer _bc _2rdamedia |
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| 338 |
_aonline resource _bcr _2rdacarrier |
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| 347 |
_atext file _bPDF _2rda |
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| 490 | 1 |
_aLecture Notes in Physics, _x0075-8450 ; _v703 |
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| 505 | 0 | _aIntroduction: 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. | |
| 520 | _aThis 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. | ||
| 650 | 0 | _aMaterials. | |
| 650 | 0 | _aChemistry. | |
| 650 | 0 | _aComputer science. | |
| 650 | 1 | 4 |
_aCondensed Matter Physics. _0http://scigraph.springernature.com/things/product-market-codes/P25005 |
| 650 | 2 | 4 |
_aNumerical and Computational Physics, Simulation. _0http://scigraph.springernature.com/things/product-market-codes/P19021 |
| 650 | 2 | 4 |
_aMaterials Science, general. _0http://scigraph.springernature.com/things/product-market-codes/Z00000 |
| 650 | 2 | 4 |
_aComplex Systems. _0http://scigraph.springernature.com/things/product-market-codes/P33000 |
| 650 | 2 | 4 |
_aTheoretical and Computational Chemistry. _0http://scigraph.springernature.com/things/product-market-codes/C25007 |
| 650 | 2 | 4 |
_aComputational Science and Engineering. _0http://scigraph.springernature.com/things/product-market-codes/M14026 |
| 700 | 1 |
_aFerrario, Mauro. _eeditor. _4edt _4http://id.loc.gov/vocabulary/relators/edt |
|
| 700 | 1 |
_aCiccotti, Giovanni. _eeditor. _4edt _4http://id.loc.gov/vocabulary/relators/edt |
|
| 700 | 1 |
_aBinder, Kurt. _eeditor. _4edt _4http://id.loc.gov/vocabulary/relators/edt |
|
| 710 | 2 | _aSpringerLink (Online service) | |
| 773 | 0 | _tSpringer eBooks | |
| 776 | 0 | 8 |
_iPrinted edition: _z9783540825548 |
| 776 | 0 | 8 |
_iPrinted edition: _z9783540352709 |
| 776 | 0 | 8 |
_iPrinted edition: _z9783662500620 |
| 830 | 0 |
_aLecture Notes in Physics, _x0075-8450 ; _v703 |
|
| 856 | 4 | 0 | _uhttps://doi.org/10.1007/3-540-35273-2 |
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