The properties of gold nanoparticles strongly depend on their three-dimensional atomic
structure, leading to an increased emphasis on controlling and predicting nanoparticle …

Abstract Object kinetic Monte Carlo (OKMC) approaches allow one to explicitly coarse grain
atomic processes to simulate the evolution with time of the system/microstructure. This class …

The spatially resolved stochastic cluster dynamics (SRSCD) method is one of the most
important methods for simulating the time-evolution of spatially correlated microstructures in …

Motivated by the need to perform large-scale kinetic Monte Carlo (KMC) simulations, in the
context of unravelling complex phenomena such as catalyst reconstruction and pattern …

We present a mathematical framework for constructing and analyzing parallel algorithms for
lattice kinetic Monte Carlo (KMC) simulations. The resulting algorithms have the capacity to …

Producing energy to supply the demands of our societies is reaching a critical limit. To tackle
this issue, there is a slow renaissance of fission reactors and the push to realise fusion …

Abstract The object kinetic Monte Carlo (OKMC) method has proven to be an excellent tool
to better understand microstructure evolution in irradiated materials, from metals to …

As high-performance computing systems now rely on hardware parallelism for continuous
improvements in performance, the timescales accessible to direct molecular dynamics (MD) …

Thrombus growth is a complex and multiscale process involving interactions spanning
length scales from individual micron-sized platelets to macroscopic clots at the millimeter …

The reactor is an extreme environment of high temperature, high pressure, and high
radiation dose. Damage accumulates in structural materials over service time. It will …