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 …

Kinetic Monte Carlo (KMC) simulations have been instrumental in multiscale catalysis
studies, enabling the elucidation of the complex dynamics of heterogeneous catalysts and …

Abstract Parallel Kinetic Monte Carlo (KMC) is a potent tool to simulate stochastic particle
systems efficiently. However, despite literature on quantifying domain decomposition errors …

Abstract The kinetic Monte Carlo (kMC) method is used in many scientific fields in
applications involving rare-event transitions. Due to its discrete stochastic nature, efforts to …

Voids are observed to be generated under sufficient loading in many materials, ranging from
polymers and metals to biological tissues. The presence of these voids can have drastic …

Abstract Kinetic Monte Carlo (KMC) algorithm has been widely applied for simulation of
radiation damage, grain growth and chemical reactions. To simulate at a large temporal and …

ABSTRACT A conceptually accurate method to connect the free energy multicanonical
sampling to meso-scale kinetic Monte Carlo (kMC) dynamics is proposed. The required …

Non-conservative processes play a fundamental role in plasticity and are behind important
macroscopic phenomena such as creep, dynamic strain aging, loop raft formation, etc. In the …

Modeling thrombus growth in pathological flows allows evaluation of risk under patient-
specific pharmacological, hematological, and hemodynamical conditions. To this end, we …

In this chapter, the Green's Function Reaction Dynamics (GFRD) method is introduced and
its application to our work is explained. Special attention is given to the use of GFRD in …