Finite-Temperature Coarse-Graining of One-Dimensional Models: Mathematical Analysis and Computational Approaches
X. Blanc, C. Le Bris, F. Legoll, C. Patz
Journal of Nonlinear Science, 20, 241–275 (2010).


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.