Title: Introduction to coarse-graining of liquids and soft matter

Presenter: Christoph Junghans

Affiliation: LANL

Abstract: Coarse-graining is a systematic way of reducing the number of degrees of freedom representing a system of interest. Several coarse-graining techniques have so far been developed, such as iterative Boltzmann inversion, force-matching, and inverse Monte Carlo. However, there is no unified framework that implements these methods and allows their direct comparison. We present a versatile object-oriented toolkit for coarse-graining applications that implements these techniques and provides a flexible modular platform for the further development of coarse-graining techniques. The aim of this talk is to give a brief overview on the various systematic coarse-graining techniques and to provide the basic knowledge to develop a coarse-grained model. All methods will be illustrated using various examples, pointing out any conceptual problems that might arise in the coarse-graining process.