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Positive temperature coarse-graining of one-dimensional systems

Wednesday, November 5, 2008 - 2:45pm - 3:30pm
EE/CS 3-180
We present a possible approach for the computation of free
energies and
ensemble averages of one-dimensional coarse-grained
models in materials science. The approach is based upon a thermodynamic
limit process, and makes use of ergodic theorems and large
deviations theory. In addition to providing a possible efficient
computational strategy for ensemble averages, the approach allows for
assessing the accuracy of approximations commonly used in practice.
This is joint work with X. Blanc (University Paris 6), F. Legoll
(ENPC-INRIA) and C. Patz (Weierstrass-Institut, Berlin), submitted to
journal of nonlinear science, preprint available at
http://hal.inria.fr/inria-00282107/en/.
MSC Code: 
74A15
Keywords: