相关论文: Extending SLUSCHI for Automated Diffusion Calculat…
Recently, an analytical expression for the system size dependence and direction-dependence of self-diffusion coefficients for neat liquids due to hydrodynamic interactions has been derived for molecular dynamics (MD) simulations using…
A microscopic model able to describe simultaneously the dynamic viscosity and the self-diffusion coefficient of fluids is presented. This model is shown to emerge from the introduction of fractional calculus in a usual model of condensed…
Starting from full-dimensional models of solute transport, we derive and analyze multi-dimensional models of time-dependent convection, diffusion, and exchange in and around pulsating vascular and perivascular networks. These models are…
Liou-Steffen splitting (AUSM) schemes are popular for low Mach number simulations, however, like many numerical schemes for compressible flow they require careful modification to accurately resolve convective features in this regime.…
The recently proposed non-additive stochastic model (NSM) offers a coherent physical interpretation for diffusive phenomena in glass-forming systems. This model presents non-exponential relationships between viscosity, activation energy,…
We introduce a distribution-free lattice Boltzmann formulation for general compartmental reaction--diffusion systems arising in mathematical epidemiology. The proposed scheme, termed a single-step simplified lattice Boltzmann method…
This bachelor project presents a theoretical model describing the resonant frequencies in rectangular and cylindrical tanks. It presents an experimental validation in the rectangular case. The resonant frequencies are determined and then…
Recent advances in molecular biology and fluorescence microscopy imaging have made possible the inference of the dynamics of single molecules in living cells. Such inference allows to determine the organization and function of the cell. The…
We study Langevin dynamics with stochastic diffusivity arising from fluctuations of the surrounding medium. The diffusivity is modeled as Ornstein-Uhlenbeck process driven by symmetric dichotomous noise, which confines it to a finite…
We present explicit methods for simulating diffusions whose generator is self-adjoint with respect to a known (but possibly not normalizable) density. These methods exploit this property and combine an optimized Runge-Kutta algorithm with a…
I explored adapting Stable Diffusion v1.5 for generating domain-specific satellite and aerial images in remote sensing. Recognizing the limitations of existing models like Midjourney and Stable Diffusion, trained primarily on natural RGB…
Direct comparisons of diffusive particle acceleration numerical simulations have been made against Monte Carlo and hybrid plasma simulations by Ellison {\it et. al.} (1993) and against observations at the earth's bow shock presented by…
Diffusion or score-based models recently showed high performance in image generation. They rely on a forward and a backward stochastic differential equations (SDE). The sampling of a data distribution is achieved by numerically solving the…
Diffuse scattering is a rich source of information about disorder in crystalline materials, which can be modelled using atomistic techniques such as Monte Carlo and molecular dynamics simulations. Modern X-ray and neutron scattering…
We introduce stochastic models for continuous-time evolution of angles and develop their estimation. We focus on studying Langevin diffusions with stationary distributions equal to well-known distributions from directional statistics, since…
Diffusion models have been successful on a range of conditional generation tasks including molecular design and text-to-image generation. However, these achievements have primarily depended on task-specific conditional training or…
McSAS3 is the refactored successor to the original McSAS Monte Carlo small-angle scattering analysis software. It is intended to be integrated in automated data processing pipelines, but can also be used to process individual (batches of)…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…
This article presents the formulation and steady-state analysis of the distributed estimation algorithms based on the diffusion cooperation scheme in the presence of errors due to the unreliable data transfer among nodes. In particular, we…
We develop a class of non-Gaussian translation processes that extend classical stochastic differential equations (SDEs) by prescribing arbitrary absolutely continuous marginal distributions. Our approach uses a copula-based transformation…