2nd Lincoln Soft Matter Seminar

Computational Physics Group

Lincoln Materials Science Platform

School of Mathematics and Physics

Dr Kostas Daoulas

Max Planck Institute for Polymer Research, Mainz, Germany

Monday 3rd November 2014

JBL2W02- 1pm

Studying soft materials for specific technological applications with “top-down” coarse-grained models

Studying soft matter on large time and length scales with computer simulations requires drastically coarse-grained models. Frequently their development benefits from concepts of universality, relying on separation between microscopic details and mesoscopic behaviour. The latter can be then studied with simple models where the choice of the coarse-grained representation, interactions, and parameters is motivated by some characteristic thermodynamic, structural, and/or dynamical properties of the system. Here we will highlight special “top-down” strategies where the control of the thermodynamic and material properties is facilitated by linking the particle-based model to frameworks akin to the classical density functional theory of liquids. The presentation of the modelling concept will be conducted in context of several technological…

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