Internship and thesis proposals
Improving stochastic simulations of complex chemical systems with bitwise arithmetic

Domaines
Statistical physics
Biophysics
Physics of living systems

Type of internship
Théorique, numérique
Description
The Gillespie algorithm is a powerful computational tool to simulate the dynamics of a system of interacting chemical species in regimes where particle numbers are small, and stochastic fluctuations are large. This well-known algorithm becomes computationally demanding when one attempts to sample a large number of configurations, e.g. looking for rare samples in the dynamics, or simulating a large number of species or reactions. We propose to develop a new method to increase the computational yield of the algorithm, by leveraging the boolean representation of particle numbers as they are stored in a computer. Different applications of the algorithm will be explored in the context of simulating complex chemical systems, which are typically non-well mixed and contains a large number of species and reactions. The student will be tasked with the numerical implementation of this parallel Gillespie algorithm, and with its application to a few representative models of interacting chemical species. The student will acquire valuable interdisciplinary skills, such as proficiency in C++, and getting familiar with models of chemical-reaction networks.

Contact
Michele Castellana
Laboratory : PCC, Institut Curie - UMR168
Team : Dynamic Control of Signaling and Gene Expression
Team Website
/ Thesis :    Funding :