By M. Ferrario, G. Ciccotti, K. Binder (Eds.)
This huge and finished selection of lectures through world-leading specialists within the box introduces and experiences all correct laptop simulation equipment and their purposes in condensed topic structures. quantity 2 deals surveys on numerical experiments conducted for lots of structures, starting from fabrics sciences to chemical biology, together with supercooled drinks, spin glasses, colloids, polymers, liquid crystals, organic membranes and folding proteins.
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Additional resources for Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 2
H. Mori (1965) Transport collective motion and brownian motion. Prog. Theor. Phys. 33, p. 423 30. U. Balucani and M. Zoppi (1994) Dynamics of the Liquid State. Oxford University Press, Oxford 31. U. Balucani, M. H. Lee, and V. Tognetti (2003) Dynamical correlations. Phys. Rep. 373, p. 409 30 W. Kob 32. K. Hukushima and K. Nemoto (1996) Exchange Monte Carlo method and application to spin glass simulations. J. Phys. Soc. Japan, 65, p. 1604 33. R. Yamamoto and W. Kob (2000) Replica-exchange molecular dynamics simulation for supercooled liquids.
E. e. the inertia term cannot be neglected. Thus the resulting equations of motion are given by m¨ri + ∇i Vil (|rl − ri |) = −ζ r˙ i + ηi (t). , ηi (t) = 0, and ζ is a damping constant. The ﬂuctuation dissipation theorem relates ζ to the second moment of ηi , and thus we have ηi (t) · ηl (t ) = 6kB T ζδ(t − t )δil . The value used for ζ is 10, which is large enough to ensure that the relaxation dynamics at intermediate and long times is independent of ζ, apart from a trivial scaling of the time scale by a factor ζ.
Finite size scaling of the correlation length used to locate the critical point in the three-dimensional Ising spin glass with Gaussian interactions. (From Katzgraber and Young (unpublished)) Numerical Simulations of Spin Glasses: Methods and Some Recent Results 41 Fig. 6. Data for the Binder ratio length of the Ising spin glass with Gaussian interactions, from Marinari et al. . The data merge but do not clearly splay out on the low-T side, unlike the results for the correlation length shown in Fig.