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A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
Geometrical random multiplicative cascade processes are often used to model positive-valued multifractal fields such as for example the energy dissipation field of fully developed turbulence. A dynamical generalisation of these models is…
In this work we present scattering functions of conjugates consisting of a colloid particle and a self-avoiding polymer chain. This model is directly derived from the two point correlation function with the inclusion of excluded volume…
A numerical method is presented for first-principle simulations of charged colloidal dispersions in electrolyte solutions. Utilizing a smoothed profile for colloid-solvent boundaries, efficient mesoscopic simulations are enabled for…
We present TDS Simulator, a new software tool aimed at modelling thermal desorption spectroscopy (TDS) experiments. TDS is a widely used technique for quantifying key characteristics of hydrogen-material interactions, such as diffusivity…
We present results from a detailed simulation of a quasi-2D dissipative granular gas, kept in a non-condensed steady state via vertical shaking over a rough substrate. This gas shows a weak power-law decay in the tails of its Pair…
Gaseous thermal transpiration flows through a rectangular micro-channel are simulated by the direct simulation BGK (DSBGK) method. These flows are rarefied, within the slip and transitional flow regimes, which are beyond many traditional…
Josephson Traveling Wave Parametric Amplifiers (JTWPAs) are integral parts of many experiments carried out in quantum technologies. Being composed of hundreds of Josephson junction-based unit cells, such devices exhibit complex nonlinear…
Rapidly decreasing tempered stable distributions are useful models for financial applications. However, there has been no exact method for simulation available in the literature. We remedy this by introducing an exact simulation method in…
Standard diffuse approximations of the Willmore flow often lead to intersecting phase boundaries that in many cases do not correspond to the intended sharp interface evolution. Here we introduce a new two-variable diffuse approximation that…
We investigate the effects of numerical damping for oscillator simulation with spline methods. Numerical damping results in an artificial loss of energy and leads therefore to unreliable results in the simulation of autonomous systems, as…
Probabilistic diffusion models have achieved state-of-the-art results for image synthesis, inpainting, and text-to-image tasks. However, they are still in the early stages of generating complex 3D shapes. This work proposes Diffusion-SDF, a…
In this paper, the second-order statistics of the instantaneous mutual information are studied, in time-varying Rayleigh fading channels, assuming general non-isotropic scattering environments. Specifically, first the autocorrelation…
A Gaussian process (GP)-based methodology is proposed to emulate complex dynamical computer models (or simulators). The method relies on emulating the numerical flow map of the system over an initial (short) time step, where the flow map is…
Stubbed waveguides and stub transistors are candidates for next generation electronic devices. In particular, such structures may be used in spintronics-based quantum computation, because of its ability to induce spin-polarized carriers. In…
In this article we show in details the derivation of an integration scheme for the dissipative particle dynamic model (DPD) using the stochastic Trotter formula [De Fabritiis et al., Physica A, 361, 429 (2006)]. We explain some subtleties…
The saddle-to-scission dynamics of the induced fission process is explored using a microscopic finite-temperature model based on time-dependent nuclear density functional theory (TDDFT), that allows to follow the evolution of local…
We present an approach to deep estimation of discrete conditional probability distributions. Such models have several applications, including generative modeling of audio, image, and video data. Our approach combines two main techniques:…
Background: Monte Carlo simulations of diffusion are commonly used as a model validation tool as they are especially suitable for generating the diffusion MRI signal in complicated tissue microgeometries. New method: Here we describe the…
A new type of dependent thinning for point processes in continuous space is proposed, which leverages the advantages of determinantal point processes defined on finite spaces and, as such, is particularly amenable to statistical, numerical,…