CRM: Centro De Giorgi
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Multiscale modeling and simulations to bridge molecular and cellular scales

Multiscale biofluidcs: from molecular transport to physiological flows

speaker: Simone Melchionna (Università di Roma)

abstract: Biofluidics involves the study of biological entities, from macromolecules to cells, in motion and con ned in a physiological environment, where several forces of hydrodynamic, electrostatic and uctuating origins, act in multiple and unpredictable ways. To tackle such formidable problems, we have developed a multiscale approach based on representing macromolecules and cells in suspension via a hybrid Lagrangian Eulerian framework. In general, this framework still involves a huge number of particles but one is mainly interested in the dynamics of a relatively small set of degrees of freedom. Therefore, a speci c coarse-graining approach is needed to achieve biological realism and close the equations. In terms of practical applications I will illustrate a number of diverse cases: protein di usion in crowding environments and the aggregation process of peptides at the onset of Alzheimer disease, a phenomenon greatly accelerated by solvent-mediated interactions, where diffusion and aggregation are either reduced or accelerated as compared to dilute conditions. the reconstruction of nasal cavities starting from tomographic images and how to reproduce the complex patterns involved in nasal flow resistance. the flow of blood cells in phsyiological vessels, and its application in cardiovascular medicine. We will conclude by discussing how to construct and manage a multi-purpose computational tool that leverages high-end hardware, based on the latest CPU-GPU platforms, and understanding how to unfold it full potential for multiscale computing.


timetable:
Mon 1 Oct, 14:00 - 15:15, Aula Dini
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