CRM: Centro De Giorgi
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Probabilistic methods in statistical physics for extreme statistics and rare events

Multiscale Methods for Rare Events

speaker: Radek Erban (University of Oxford)

abstract: I will discuss mathematical and computational methods for spatio-temporal modelling in molecular and cell biology, including all-atom and coarse-grained molecular dynamics (MD), Brownian dynamics (BD), stochastic reaction-diffusion models and macroscopic mean-field equations. Microscopic (BD, MD) models are based on the simulation of trajectories of individual molecules and their localized interactions (for example, reactions). Mesoscopic (lattice-based) stochastic reaction-diffusion approaches divide the computational domain into a finite number of compartments and simulate the time evolution of the numbers of molecules in each compartment, while macroscopic models are often written in terms of mean-field reaction-diffusion partial differential equations (PDEs) for spatially varying concentrations. I will discuss the development, analysis and applications of multiscale or multi-resolution methods, which use (detailed) BD or MD simulations in localized regions of particular interest (in which accuracy and microscopic details are important) and a (less-detailed) coarser model in other regions in which accuracy may be traded for simulation efficiency. Applications of these multiscale methodologies to rare event modelling of intracellular processes will be presented.

Mon 17 Sep, 16:15 - 17:00, Aula Dini
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