Accurate coarse-grained potentials for soft matter systems: Lecture Notes

Ronald Blaak, Barbara Capone, Christos Likos, Lorenzo Rovigatti

Publications: Contribution to bookContribution to proceedingsPeer Reviewed

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.
Original languageEnglish
Title of host publicationComputational trends in solvation and transport in liquids
EditorsGodehard Sutmann, Johannes Grotendorst, Gerhard Gompper, Dominik Marx
Place of PublicationJülich
Pages209-258
Publication statusPublished - 2015

Publication series

SeriesSchriften des Forschungszentrum Jülich, IAS Series
Volume28
ISSN1868-8489

Austrian Fields of Science 2012

  • 103015 Condensed matter
  • 103036 Theoretical physics

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