Microscopic/stochastic timesteppers and coarse control: a kinetic Monte Carlo example

TL;DR

This paper introduces a framework that uses microscopic stochastic simulations, specifically kinetic Monte Carlo methods, to perform coarse control and stability analysis, bridging microscopic models with macroscopic control tasks.

Contribution

It presents a novel methodology for designing observers and controllers directly from microscopic simulations, integrating numerical analysis, control theory, and stochastic modeling.

Findings

Framework enables coarse control using microscopic simulations

Bridges microscopic models with macroscopic control tasks

Applicable to stochastic kinetic Monte Carlo systems

Abstract

Coarse timesteppers provide a bridge between microscopic / stochastic system descriptions and macroscopic tasks such as coarse stability/bifurcation computations. Exploiting this computational enabling technology, we present a framework for designing observers and controllers based on microscopic simulations, that can be used for their coarse control. The proposed methodology provides a bridge between traditional numerical analysis and control theory on the one hand and microscopic simulation on the other.