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By using Monte Carlo simulation on a ferromagnetic core/antiferromagnetic shell nanoparticle, we investigate in details the exchange bias of the magnetic hysteresis as a function of both core radius and shell thickness, at low temperature.…
Fluctuations of isolated and pairs of ascending steps of monoatomic height are studied in the framework of SOS models, using mainly Monte Carlo techniques. Below the roughening transistion of the surface, the profiles of long steps show the…
It is shown that differences observed between the ionization potentials of the molecular-doped metallic clusters and those corresponding to the bare metallic ones can be explained by a two-step approach of the classical Liquid Drop Model.…
The accuracy of Monte Carlo Glauber model descriptions of minimum-bias multiplicity frequency distributions is evaluated using data from the Relativistic Heavy Ion Collider (RHIC) within the context of a sensitive, power-law representation…
We present Generative Monte Carlo (GMC), a novel paradigm for particle transport simulation that integrates generative artificial intelligence directly into the stochastic solution of the linear Boltzmann equation. By reformulating the…
We present a numerical method and computer code to calculate the radiative transfer and excitation of molecular lines. Formulating the Monte Carlo method from the viewpoint of cells rather than photons allows us to separate local and…
A Monte Carlo study of the late time growth of $L1_2$ ordered domains on a fcc $A_3B$ binary alloy is presented. The energy of the alloy has been modeled by a nearest neighbor interaction Ising hamiltonian. The system exhibits a fourfold…
Accurately and efficiently estimating system performance under uncertainty is paramount in power system planning and operation. Monte Carlo simulation is often used for this purpose, but convergence may be slow, especially when detailed…
We present the state-of-the-art theoretical modeling, molecular simulation, and coarse-graining strategies for the transport of gases and liquids in nanoporous materials (pore size 1-100 nm). Special emphasis is placed on the transport of…
Polymer-coated pores play a crucial role in nucleo-cytoplasmic transport and in a number of biomimetic and nanotechnological applications. Here we present Monte Carlo and Density Functional Theory approaches to identify different collective…
Clustering of the four-nucleon system at kinetic freezeout conditions is studied using path-integral Monte Carlo techniques. This method seeks to improve upon previous calculations which relied on approximate semiclassical methods or…
We show that the study of critical properties of the Blume-Capel model at two dimensions can be deduced from Monte Carlo simulations with good accuracy even for small system sizes when one analyses the behaviour of the zeros of the…
Defect transport is a key process in materials science and catalysis, but as migration mechanisms are often too complex to enumerate a priori, calculation of transport tensors typically have no measure of convergence and require significant…
This study proposes to find the most appropriate transport modes with awareness of user preferences (e.g., costs, times) and trip characteristics (e.g., purpose, distance). The work was based on real-life trips obtained from a map…
To better understand the capture process by a nanopore, we introduce an efficient Kinetic Monte Carlo (KMC) algorithm that can simulate long times and large system sizes by mapping the dynamic of a point-like particle in a 3D spherically…
Preliminary low-thrust spacecraft mission design is a global search problem characterized by a complex solution landscape, multiple objectives, and numerous local minima. During this phase, mission parameters are often not yet fully…
Monte Carlo simulations are performed to study the in-plane transport of spin-polarized electrons in III-V semiconductor quantum wells. The density matrix description of the spin polarization is incorporated in the simulation algorithm. The…
Bayesian data analysis is widely used across many disciplines, and representative examples in materials science include spectral analysis and sparse modeling. In such applications, the underlying models often become complex and yield…
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…
In one dimension, we present results from comparisons of stationary state multigroup flux-limited diffusion and Boltzmann neutrino transport, focusing on quantities central to the postbounce shock reheating. In two dimensions, we present…