Speaker:
Tony Lelièvre École des PontsParisTech & CNRS-Imperial UMI
Abstract:
By modelling matter at the atomistic level, molecular simulations intend to provide a numerical microscope, able to study the microscopic origins of macroscopic properties of matter. Despite the growth of computer processing power, it remains difficult to simulate sufficiently large systems over sufficiently long timescales to access all the quantities of interest. Mathematics play a fundamental role both to derive rigorously cheaper coarse-grained models, and to analyse and improve algorithms which aim at bridging the gap between the length and time scales of molecular simulations and those relevant at the macroscopic level. The objective of this talk will be to present models used in classical molecular dynamics, and some mathematical questions raised by their simulations.
The Colloquium will be preceded by tea & coffee in the Huxley Common Room at 3.15pm