Information-theoretic measurements of coupling between structure and dynamics in glass formers.

We analyze connections between structure and dynamics in two model glass formers, using the mutual information between an initial configuration and the ensuing dynamics to compare the predictive value of different structural observables. We consider the predictive power of normal modes, locally favored structures, and coarse-grained measurements of local energy and density. The mutual information allows the influence of the liquid structure on the dynamics to be analyzed quantitatively as a function of time, showing that normal modes give the most useful predictions on short time scales while local energy and density are most strongly predictive at long times.

[1]  Thomas M. Cover,et al.  Elements of Information Theory , 2005 .

[2]  Faraday Discuss , 1985 .

[3]  R. Rosenfeld Nature , 2009, Otolaryngology--head and neck surgery : official journal of American Academy of Otolaryngology-Head and Neck Surgery.

[4]  Michael I. Jordan,et al.  Advances in Neural Information Processing Systems 30 , 1995 .

[5]  D. Chandler,et al.  Introduction To Modern Statistical Mechanics , 1987 .

[6]  Koby Crammer,et al.  Advances in Neural Information Processing Systems 14 , 2002 .

[7]  Kenneth F. Kelton,et al.  Fragility of glass-forming liquids , 2014 .

[8]  Ericka Stricklin-Parker,et al.  Ann , 2005 .

[9]  I. Ial,et al.  Nature Communications , 2010, Nature Cell Biology.

[10]  Thomas G. Dietterich,et al.  In Advances in Neural Information Processing Systems 12 , 1991, NIPS 1991.

[11]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.