Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics
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Published By Springer Berlin Heidelberg

9783540352709

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Introduction: Condensed Matter Theory by Computer Simulation

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_0 ◽

2007 ◽

pp. 1-11 ◽

Author(s):

G. Ciccotti ◽

K. Binder ◽

M. Ferrario

Keyword(s):

Computer Simulation ◽

Condensed Matter ◽

Condensed Matter Theory ◽

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Transition Path Sampling Methods

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_10 ◽

2007 ◽

pp. 349-391 ◽

Author(s):

C. Dellago ◽

P.G. Bolhuis ◽

P.L. Geissler

Keyword(s):

Sampling Methods ◽

Path Sampling ◽

Transition Path ◽

Transition Path Sampling

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Large Scale Condensed Matter Calculations using the Gaussian and Augmented Plane Waves Method

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_8 ◽

2007 ◽

pp. 287-314 ◽

Author(s):

J. VandeVondele ◽

M. Iannuzzi ◽

J. Hutter

Keyword(s):

Large Scale ◽

Condensed Matter ◽

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Sampling Kinetic Protein Folding Pathways using All-Atom Models

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_11 ◽

2007 ◽

pp. 393-433

Author(s):

P.G. Bolhuis

Keyword(s):

Protein Folding ◽

Folding Pathways ◽

Protein Folding Pathways

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Linearized Path Integral Methods for Quantum Time Correlation Functions

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_16 ◽

2007 ◽

pp. 553-590 ◽

Author(s):

D.F. Coker ◽

S. Bonella

Keyword(s):

Path Integral ◽

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Integral Methods ◽

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Transport Coefficients of Quantum-Classical Systems

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_15 ◽

2007 ◽

pp. 519-551 ◽

Author(s):

R. Kapral ◽

G. Ciccotti

Keyword(s):

Transport Coefficients ◽

Classical Systems

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Waste-Recycling Monte Carlo

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_4 ◽

2007 ◽

pp. 127-137 ◽

Author(s):

D. Frenkel

Keyword(s):

Monte Carlo ◽

Waste Recycling

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Simulation Techniques for Calculating Free Energies

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_3 ◽

2007 ◽

pp. 67-126 ◽

Author(s):

M. Müller ◽

J.J. de Pablo

Keyword(s):

Free Energies ◽

Simulation Techniques

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Simulating Charged Systems with ESPResSo

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_6 ◽

2007 ◽

pp. 193-221 ◽

Author(s):

A. Arnold ◽

B.A.F. Mann ◽

Christian Holm

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Multiscale Modelling in Molecular Dynamics: Biomolecular Conformations as Metastable States

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_14 ◽

2007 ◽

pp. 495-517 ◽

Author(s):

E. Meerbach ◽

E. Dittmer ◽

I. Horenko ◽

C. Schütte

Keyword(s):

Molecular Dynamics ◽

Multiscale Modelling ◽

Metastable States

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