Related papers: Bruce-Vincent transference numbers from molecular …
We prove that a denoising diffusion sampler equipped with a sequential bias across the batch dimension is exactly an Euler-Maruyama integrator for overdamped Langevin dynamics. Each reverse denoising step, with its associated spring…
The numerical approximation of an inverse problem subject to the convection--diffusion equation when diffusion dominates is studied. We derive Carleman estimates that are on a form suitable for use in numerical analysis and with explicit…
Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…
The theory of energy transfer dynamics of a pair of donor and acceptor molecules located in the plasmonic hot spots is developed by means of the master equation approach and the electromagnetic Green's tensor technique. A nonlocal effect…
Transport of electrolytic solutions under influence of electric fields occurs in phenomena ranging from biology to geophysics. Here, we present a continuum model for single-phase electrohydrodynamic flow, which can be derived from…
We build an exact framework to evaluate heat, energy, and particle transport between Gaussian reservoirs mediated by a quadratic quantum system. By combining full counting statistics with newly developed non-Markovian master equation…
We present mesoscale numerical simulations of Rayleigh-B\'enard (RB) convection in a two-dimensional model emulsion. The systems under study are constituted of finite-size droplets, whose concentration Phi_0 is systematically varied from…
The use of ring polymer molecular dynamics (RPMD) for the direct simulation of electron transfer (ET) reaction dynamics is analyzed in the context of Marcus theory, semiclassical instanton theory, and exact quantum dynamics approaches. For…
The behaviour of the turbulent Prandtl number ($Pr_t$) for buoyancy-affected flows near a vertical surface is investigated as an extension study of {Gibson \& Leslie, \emph{Int. Comm. Heat Mass Transfer}, Vol. 11, pp. 73-84 (1984)}. By…
We investigate high-Reynolds number turbulence in dilute polymer solutions. We show the existence of a critical value of the Reynolds number which separates two different regimes. In the first regime, below the transition, the influence of…
In this paper we study the convergence rate of a finite volume approximation of the compressible Navier--Stokes--Fourier system. To this end we first show the local existence of a highly regular unique strong solution and analyse its global…
Governing equations for evolution of concentration and temperature in three-component systems were derived in the framework of classical irreversible thermodynamics using Onsager variational principle and were presented for…
Understanding compressible turbulence is critical for modeling atmospheric, astrophysical, and engineering flows. However, compressible turbulence poses a more significant challenge than incompressible turbulence. We present a novel…
Characterizing the superconducting and superfluid transitions in two-dimensional (2D) many-body systems is of broad interest and remains a fundamental issue. In this study, we establish the {\it condensate fraction} as a highly effective…
We consider the compressible Euler equations with potential temperature transport, a system widely used in atmospheric modelling to describe adiabatic, inviscid flows. In the low Mach number regime, the equations become stiff and pose…
In the study of phase transitions a very few models are accessible to exact solution. In the most cases analytical simplifications have to be done or some numerical technique has to be used to get insight about their critical properties.…
We proposed a formally exact, probabilistic method to assess the validity of the Thomas-Fermi potential for three-dimensional condensed matter systems where electron dynamics is constrained to the Fermi surface. Our method, which relies on…
In this work, the Nusselt number is examined for periodically developed heat transfer in micro- and mini-channels with arrays of offset strip fins, subject to a constant heat flux. The Nusselt number is defined on the basis of a heat…
Landauer-B\"uttiker formula describes the electronic quantum transports in nanostructures and molecules. It will be numerically demanding for simulations of complex or large size systems due to, for example, matrix inversion calculations.…
The accurate and robust simulation of transcritical real-fluid flows is crucial for many engineering applications. Diffused interface methods are frequently employed and several numerical schemes have been developed for simulating…