The inverse Henderson problem from statistical mechanics for multi-species models

Abstract: The inverse Henderson problem of statistical mechanics is the theoretical foundation for many bottom-up coarse-graining techniques for the numerical simulation of complex soft matter physics. This inverse problem concerns classical particles in continuous space interacting according to a pair potential depending on the distance of the particles. Roughly stated, it asks for the interaction potential given the pair correlation function of the system. We show that the solution to this inverse problem is unique and can be rewritten as a minimization problem for a certain relative entropy functional. Lastly, we show how this framework can be adapted to multi-species models using marked Gibbs measures.

statistical mechanicsprobabilitystatistics theory

Audience: researchers in the discipline

Gothenburg statistics seminar

Series comments: Gothenburg statistics seminar is open to the interested public, everybody is welcome. It usually takes place in MVL14 (http://maps.chalmers.se/#05137ad7-4d34-45e2-9d14-7f970517e2b60, see specific talk). Speakers are asked to prepare material for 35 minutes excluding questions from the audience.