The Coarse-Grained Monte Carlo (CGMC) method is a multi-scale stochastic mathematical
and simulation framework for spatially distributed systems. CGMC simulations are important …

In this work we develop a stochastic algorithm to integrate the Cahn-Hilliard equations. The
algorithm is based on Gillespie's stochastic simulation algorithm, also known as kinetic …

Under the anticipated operating conditions for demonstration magnetic fusion reactors
beyond ITER, structural materials will be exposed to unprecedented conditions of irradiation …

This chapter aims to provide an overview of theoretical models and simulation approaches
developed to study charge and exciton transport in organic semiconductors, as well as to …

On-lattice Kinetic Monte Carlo (KMC) is a powerful computational method that is widely used
to study chemical reaction on catalytic surfaces. It is an exact method able to capture surface …

Microstructure evolution of irradiated materials is a complex phenomenon that involves time
and length scales that can expand several orders of magnitude. Defects produced in the …

Understanding the behaviors of molecules in tight confinement is a challenging task.
Standard simulation tools like kinetic Monte Carlo have proven to be very effective in the …

Abstract Kinetic Monte Carlo generates a sequence of configurations and times when the
transitions between these configurations occur. This solves the master equation in the sense …

We present a method of parallelizing the stochastic cutoff (SCO) method, which is a Monte-
Carlo method for long-range interacting systems. After interactions are eliminated by the …

Abstract Kinetic Monte Carlo (KMC) simulations are used to study long-time dynamics of a
wide variety of systems. Unfortunately, the conventional KMC algorithm is not scalable to …