Statistical Mechanics Theory And Molecular Simulation

Author: Mark Tuckerman
Publisher: OUP Oxford
ISBN: 9780191523465
Size: 25.96 MB
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The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and ...

Molecular Dynamics

Author: Ben Leimkuhler
Publisher: Springer
ISBN: 3319163752
Size: 28.82 MB
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... H.F.: On the product of semi-groups of operators. Proc. Am. Math. Soc. 10(4),
545– 551 (1959). doi:10.1090/S0002-9939-1959-0108732-6 Tsige, M., Curro,
J.G., Grest, G.S., McCoy, J.D.: Molecular dynamics simulations and integral
equation theory of alkane chains: comparison of explicit and united atom models.
Macromolecules 36(6), 2158–2164 (2003). doi:10.1021/ma0212543 Tuckerman,
M.: Statistical Mechanics: Theory and Molecular Simulation. Oxford Graduate

High Resolution Simulations Of Strongly Coupled Coulomb Systems With A Parallel Tree Code

Author: Mathias Winkel
Publisher: Forschungszentrum Jülich
ISBN: 3893369015
Size: 16.45 MB
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The Journal of Chemical Physics 81 (1984), 511. S. Nosé. “A molecular dynamics
method for simulations in the canonical en- semble.” Molecular Physics: An
International Journal at the Interface Between Chemistry and Physics 52 (1984),
255–268. D. C. Rapaport. The Art of Molecular Dynamics Simulation. 2nd(repr.)
Cam- bridge University Press, 2005. M. E. Tuckerman. Statistical Mechanics:
Theory and Molecular Simulation. Oxford Graduate Texts. Oxford University
Press, 2010.

Computer Simulation Of Liquids

Author: Michael P. Allen
Publisher: Oxford University Press
ISBN: 0192524704
Size: 14.43 MB
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Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo
method: a review. ... Ecient treatment of out-of-plane bend and improper torsion
interactions in , , and molecular mechanics calculations. ... Time-dependent
density-functional theory: concepts and applications. Oxford Graduate Texts.
Oxford University Press. Ulmschneider, J. P. and Jorgensen, W. L. (). Monte Carlo
backbone sampling for polypeptides with variable bond angles and dihedral
angles using ...

Free Energy Computations

Author: Tony LeliŠvre
Publisher: World Scientific
ISBN: 1848162480
Size: 38.89 MB
Format: PDF
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2256–2265. Alder, B. J. and Wainwright, W. T. (1956). Molecular dynamics by
electronic computers, in I. Prigogine (ed.), Proc. of the Int. Symp. on Statistical
Mechanical Theory of Transport Processes (Brussels, 1956) (Interscience, Wi- ley
), pp. 97–131. Ambrosio, L., Fusco, N. and Pallara, D. (2000). ... Diff. Eq. 26, pp.
43–100. Arnol'd, V. I. (1989). Mathematical methods of classical mechanics,
Graduate Texts in Mathematics, Vol. 60 (Springer-Verlag). Assaraf, R., Caffarel, M
. and Khelif, ...

Statistical Physics Of Polymers

Author: Toshihiro Kawakatsu
Publisher: Springer Science & Business Media
ISBN: 9783540434405
Size: 62.90 MB
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This book is a very useful addition to polymer literature, and it is a pleasure to recommend it to the polymer community." (J.E. Mark, University of Cincinnati, POLYMER NEWS) This textbook provides senior undergraduate and graduate students ...

Theories Of Molecular Reaction Dynamics

Author: Niels E. Henriksen
Publisher: OUP Oxford
ISBN: 9780199652754
Size: 45.87 MB
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This book deals with a central topic at the interface of chemistry and physics - the understanding of how the transformation of matter takes place at the atomic level.


Author: Anton Bovier
Publisher: Springer
ISBN: 3319247778
Size: 35.49 MB
Format: PDF, Kindle
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3, 211–236 (1971) Penrose, O., Lebowitz, J.: Towards a rigorous molecular
theory of metastability. In: Fluctuation Phenomena ... and where is it going?
Chaos 15,026116 (2005) Presutti, E.: Scaling Limits in Statistical Mechanics and
Microstructures in Continuum Mechanics. ... Oxford University Press, Oxford (
1986) Slowik, M.: Contributions to the Potential Theoretic Approach to
Metastability with Applications to the Random Field Curie-Weiss-Potts Model. Ph.
D. thesis, Technische ...