Molecular simulations are an excellent tool to study adsorption and diffusion in nanoporous
materials. Examples of nanoporous materials are zeolites, carbon nanotubes, clays, metal …

Lower-upper (LU) factorization is widely used in many scientific computations. It is one of the
most critical modules in circuit simulators, such as the Simulation Program With Integrated …

Atomistic spin dynamics simulations provide valuable information about the energy
spectrum of magnetic materials in different phases, allowing one to identify instabilities and …

Monte Carlo methods rely on sequences of random numbers to obtain solutions to many
problems in science and engineering. In this work, we evaluate the performance of different …

The network charge of polyampholyte microgels can be tuned by varying the pH of the
surrounding solution, and a charge reversal from a positively charged microgel at low pH to …

Using Monte Carlo computer simulations, we investigate the kinetics of phase separation in
the two-dimensional conserved Ising model with power-law decaying long-range …

We implemented a fast Reciprocal Monte Carlo algorithm to accurately solve radiative heat
transfer in turbulent flows of non-grey participating media that can be coupled to fully …

Pipeline wall loss is a major concern of the oil and gas industry. The computational
simulation through the finite element method is one of the most efficient and reliable tools to …

In atomistic spin dynamics simulations, the time cost of constructing the space-and time-
displaced pair correlation function in real space increases quadratically as the number of …

The objective of the present study is to investigate the capability of field-programmable gate
array hardware in numerical simulation of a model of a dielectric barrier discharge plasma …