19 Feb Theory of Coarse-Graining and its applications towards the modelling of complex fluids course
In this course we present in detail the fundamentals of the theory of coarse-graining, explore different applications that range from thermodynamics of small systems to complex fluids (colloidal suspensions and other viscoelastic fluids), and describe particle-based simulation methodologies like DPD and SDPD for the simulation of complex fluids.
PROGRAMME:
1. The microscopic level: Classical Mechanics and Statistical Mechanics. Ergodicity, Irreversibility, Equilibrium. Probabilities in Phase space. Levels of description. The Maximum Entropy Principle.
2. The CG dynamics: The Stochastic Dynamics of Coarse Grained variables. Green’s view of coarse-graining. The Zwanzig projection operator technique. The GENERIC framework. Einstein formula, small fluctuations. SDE for pedestrians. Near equilibrium and Mori theory of projection operators.
3. The Theory of Coarse-Graining at work: Thermodynamics of small systems. Colloids, Smoluchowski and Langevin descriptions. Discrete fluctuating hydrodynamics. Nanoparticles embedded in a fluid.
4. Lagrangian fluid particles: The continuum limit and the Lagrangian description. The DPD model. The SDPD model. The SDPD model for viscoelastic fluids.
5. Blob Models of complex molecules: Coarse-grained models for complex molecules. Isothermal models of complex molecules. Non-isothermal models.
Info: https://www.bcamath.org/es/courses/2019-05-13-bcam-course/general
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