Accurate coarse-grained potentials for soft matter systems

Author(s)
Ronald Blaak, Barbara Capone, Christos Likos, Lorenzo Rovigatti
Abstract

In this Chapter, we present the general statistical-mechanical theory for the derivation of effective Hamiltonians for arbitrary many-body systems in thermodynamic equilibrium. The approach towards a simplified, yet accurate,
coarse-grained view of a many-body system has proven to be particularly fruitful in the realm of the Physics of Complex Fluids, a synonym for the broad research area of Soft Matter Science, which encompasses aspects of Physics, Chemistry, Materials Science and Bioscience. After the exposition of the general formalism, we present the methods by which one can derive, in a manageable and accurate way, effective Hamiltonians for a veriety of physical systems, by exposing mutually complementary theoretical and computations techniques to this end. Further, we provide extensive exposures of specific and diverse examples from current research in soft matter systems, for which the coarse-graining approach has been applied with remarkable success.

Organisation(s)
Computational and Soft Matter Physics
Pages
209-258
Publication date
2015
Peer reviewed
Yes
Austrian Fields of Science 2012
103015 Condensed matter, 103036 Theoretical physics
Portal url
https://ucrisportal.univie.ac.at/en/publications/c407582e-6b62-4afa-ab44-28ae323a268c