PICS Colloquium: “Stochastic Reaction-Diffusion-Dynamics Modeling of whole systems: application to fibrin clot contraction and fibrin clot rupture” with Valeri Barsegov
February 6 at 2:00 PM - 3:00 PM
Organizer
Venue
Abstract: Stochastic Reaction-Diffusion-Dynamics Model (SRDDM) for particle-based simulations of mechanochemical processes for thermodynamically large systems with high spatial and temporal resolution will be presented. The SRDDM couples the spatially inhomogeneous reaction-diffusion master equation to account for chemical reactions and molecular transport within the Langevin Dynamics (LD) framework to describe force-dependent dynamic processes at the whole system level (e.g. fibrin gel, eukaryotic cell). This computational infrastructure developed allows for the simulation of hours of mechanical processes in reasonable wall-clock time. The SRDDM will be applied to explore: 1) the kinetics, thermodynamics, and mechanisms of blood clot contraction – platelet-driven fibrin network remodeling; and 2) the strength, deformability, damage and fracture toughness of fibrin clot – a prime example of fibrous material networks.

