Understanding Molecular Simulation

Author: Daan Frenkel
Publisher: Elsevier
ISBN: 9780080519982
Size: 59.96 MB
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Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

Volume Properties

Author: Emmerich Wilhelm
Publisher: Royal Society of Chemistry
ISBN: 1849738998
Size: 47.89 MB
Format: PDF
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R. J. Sadus, Molecular Simulations of Fluids: Theory, Algorithms and Object-
Orientation, Elsevier Science, New York, USA, 1999. A. Leach, Molecular
Modelling: Principles and Applications, 2nd edn, Pearson Education, Essex, UK,
2001. F. J. Vesely, Computational Physics: An Introduction, 2nd edn, Kluwer
Academic/Plenum Publishers, New York, USA, 2001. D. Frenkel and B. Smit,
Understanding Molecular Simulation, 2nd edn, Academic Press, London, UK,
2002. C. J. Cramer ...

Bridging The Time Scales

Author: Peter Nielaba
Publisher: Springer Science & Business Media
ISBN: 3540458379
Size: 10.43 MB
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Molecular Simulations for the Next Decade Peter Nielaba, Michel Mareschal,
Giovanni Ciccotti. reasonable large time step transition probabilities have a
chance of being less than negligible. It is not obvious, of course, how to proceed
in picking useful ... Ross, M. W. Lo, J. Marsden, D. Farrelly, T. Uzer: Phys. Rev.
Lett. 89, 011101 (2002) 3. D. Frenkel, B. Smit: Understanding Molecular
Simulation, 2nd. edn. (Academic Press, San Diego 2002) 4. G. M. Torrie, J. P.
Valleau: J. Comp. Phys.

Selected Topics Of Computational And Experimental Fluid Mechanics

Author: Jaime Klapp
Publisher: Springer
ISBN: 3319114875
Size: 64.89 MB
Format: PDF, ePub, Docs
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J Chem Phys 102(18):7256–7266 Frenkel D, Smit B (2002) Understanding
molecular simulation: from algorithms to applications. Academic Press Galuschko
A, Spirin L, Kreer T, Johner A, Pastorino C, Wittmer J, Baschnagel J (2010)
Frictional forces between strongly compressed, nonentangled polymer brushes:
molecular dynamics simulations and scaling theory. Langmuir 26(9):6418–6429
Gama Goicochea A (2007) Adsorption and disjoining pressure isotherms of
confined ...

Mathematical Tools For Physicists

Author: Michael Grinfeld
Publisher: John Wiley & Sons
ISBN: 3527684271
Size: 15.91 MB
Format: PDF, ePub, Mobi
View: 993
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Berg, B. A. (2004) Markov Chain Monte-Carlo Simulations and Their Statistical
Analysis. World Scientific, Singapore. Rapaport, D.C. (2004) The Art of Molecular
Dynamics Simulation, 2nd edn, Cambridge University Press, Cambridge. Landau
, D. P. and Binder, K. (2009) A Guide to Monte-Carlo Simulation in Statistical
Physics, 3rd edn., Cambridge University Press Cambridge. Panagiotopoulos,
A. Z. (1992) Mol. Simul. 9, 1–23. Frenkel, D. and Smit, B. (2002) Understanding
Molecular ...

Molecular Simulation Studies On Thermophysical Properties

Author: Gabriele Raabe
Publisher: Springer
ISBN: 9811035458
Size: 66.19 MB
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This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and molecular dynamics simulation techniques.

Comprehensive Biomaterials

Author: Paul Ducheyne
Publisher: Elsevier
ISBN: 0080552943
Size: 79.84 MB
Format: PDF
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20. Becker, O.M.; MacKerrel, A. D.; Roux, B.; Watanabe, M., Eds. Computational
Biochemistry and Biophysics; Marcel Dekker: New York, NY, 2001. 21. Allen,
M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press:
New York, NY, 1987. 23. 24. 25. 26. 27. 22. Frenkel, D.; Smit, B. Understanding
Molecular Simulation; Academic Press: New York, NY, 1996. Cornell, W. D.;
Cieplak, P.; Bayly, C. I.; et al. J. Am. Chem. Soc. 1995, 117, 5179–5197. Weiner,
S.J.; Kollman ...

Hydrogen Bonding And Transfer In The Excited State

Author: Ke-Li Han
Publisher: John Wiley & Sons
ISBN: 9781119972921
Size: 80.34 MB
Format: PDF, ePub, Docs
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Soc., Perkin Trans., 2, 799-805 (1993). 182. D. Frenkel and B. Smit,
Understanding Molecular Simulation; Computational Science 1. Academic Press,
London, UK (2002). 183. S. Ten-no, F. Hirata and S. Kato, Chem. Phys. Lett., 214,
391-396 (1993); H. Sato, F. Hirata and S. Kato, J. Chem. Phys., 105(4), 1546-
1551 (1996). 184. F. Hirata (ed.), Molecular Theory of Solvation, in
Understanding Chemical Reactivity Series, Vol. 24. Kluwer Academic Publishers,
Dordrecht, The Netherlands ...