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The Many-Body Expansion (MBE) is a useful tool to simulate condensed phase chemical systems, often avoiding the steep computational cost of usual electronic structure methods. However, it often requires higher than 2-body terms to achieve…
An attempt is made to simulate the homoepitaxial growth of a Si(111) surface by the kinetic Monte Carlo method in which the standard Solid-on-Solid model and the planar model of the (7x7) surface reconstruction are used in combination. By…
This report focuses on the effect of the surface topography of the substrate on the behavior of human mesenchymal stem cells from bone marrow (MSCs) before and after co-differentiation into adipocytes and osteoblasts. Picosecond pulsed…
By including elements of the density matrix formalism, the semiclassical ensemble Monte Carlo method for carrier transport is extended to incorporate incoherent tunneling, known to play an important role in quantum cascade lasers (QCLs). In…
We analyze and compare the computational complexity of different simulation strategies for Monte Carlo in the setting of classically scaled population processes. This allows a range of widely used competing strategies to be judged…
We present some approaches to the computation of ultra-fast laser pulses capable of selectively breaking molecular bonds. The calculations are based on a mixed quantum-classical description: The electrons are treated quantum mechanically…
The multiple scattering of an ultrashort laser pulse by a turbid dispersive medium (namely a cloud of bubbles in water) is investigated by means of Monte Carlo simulations. The theory of Gouesbet and Gr\'ehan [Part. Part. Syst. Charact. 17…
The numerical analysis of elastic wave propagation in unbounded media may be difficult due to spurious waves reflected at the model artificial boundaries. This point is critical for the analysis of wave propagation in heterogeneous or…
Colloidal droplets are used in a variety of practical applications. Some of these applications require particles of different sizes. These include medical diagnostic methods, the creation of photonic crystals, the formation of…
Monatomic antimony thin films have recently attracted attention for applications in phase change memory, nanophotonics, and 2D materials. Although some promising results have been reported, the true potential of Sb thin films is still…
Proposals to reach the next generation of laser intensities through Raman or Brillouin backscattering have centered on optical frequencies. Higher frequencies are beyond the range of such methods mainly due to the wave damping that…
Recently, Bi2O2Se is discovered as a promising two-dimensional (2D) semiconductor for next generation electronics, due to its moderate bandgap size, high electron mobility and pronounced ambient stability. Meanwhile, it has been predicted…
We present a novel concept for pulse compression scheme applicable at RF, microwave and possibly to optical frequencies based on structured energy distribution in cavities supporting degenerate band-edge (DBE) modes. For such modes a…
We propose enforcing constraints on Model-Based Diffusion by introducing emerging barrier functions inspired by interior point methods. We demonstrate that the standard Model-Based Diffusion algorithm can lead to catastrophic performance…
This paper introduces a Monte Carlo method for maximum likelihood inference in the context of discretely observed diffusion processes. The method gives unbiased and a.s.\@ continuous estimators of the likelihood function for a family of…
The design of absorbing boundary conditions (ABC) in a numerical simulation is a challenging task. In the best cases, spurious reflections remain for some angles of incidence or at certain wave lengths. In the worst, ABC are not even…
A model for diffusion on a cubic lattice with a random distribution of traps is developed. The traps are redistributed at certain time intervals. Such models are useful for describing systems showing dynamic disorder, such as ion-conducting…
Selected theoretical developments in modeling of deposition of submicrometer size (submicron) particles on solid surfaces, with and without surface diffusion, of interest in colloid, polymer, and certain biological systems, are surveyed. We…
In studies of interaction of matter with laser fields of extreme intensity there are two limiting cases of a multi-beam setup maximizing either the electric field or the magnetic field. In this work attention is paid to the optimal…
In the Large Hadron Collider, electron clouds have been observed to cause slow beam degradation in the form of beam lifetime reduction and slow emittance growth. We present a method for the simulation of such slow effects with arbitrarily…