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The theoretical dispersion curves $n(\omega)$ (refractive index versus frequency) of ionic crystals in the infrared domain are expressed, within the Green--Kubo theory, in terms of a time correlation function involving the motion of the…
An anomalous diffusion model for ion channel gating is put forward. This scheme is able to describe non-exponential, power-law like distributions of residence time intervals in several types of ion channels. Our method presents a…
The diffusion model has demonstrated promising results in image generation, recently becoming mainstream and representing a notable advancement for many generative modeling tasks. Prior applications of the diffusion model for both fast…
We study the connection between transport phenomenon and escape rate statistics in two-dimensional standard map. For the purpose of having an open phase space, we let the momentum co-ordinate vary freely and restrict only angle with…
Estimating composition dependent diffusion coefficients in multicomponent alloys was a longstanding challenge due to limitations in experimental methods. In this study, we have first demonstrated a strategic design of producing only three…
Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…
Steady-state RANS simulations are reported for 2D flow around an ellipse and a von-K\'arm\'an-Trefftz airfoil at seven different angles of attack and two different Reynolds numbers, computed using the $k \omega SST$ turbulence model in…
Slow resonant extraction from synchrotrons via radio-frequency knock-out is a well-established technique to deliver charged particle beams for various applications. In this contribution, we present explicit analytical expressions for…
We consider Taylor dispersion for tracer particles in micro-fluidic planar channels with strong confinement. In this context, the channel walls modify the local diffusivity tensor and also interactions between the tracer particles and the…
A diffusion model of the time evolution of loss rates caused by a step in collimator position is presented. It builds upon the model of Seidel (1994) and its assumptions: (1) constant diffusion rate within the range of the step and (2)…
Radiative pressure exerted by line interactions is a prominent driver of outflows in astrophysical systems, being at work in the outflows emerging from hot stars or from the accretion discs of cataclysmic variables, massive young stars and…
For the concrete model of Brownian particles dynamics in non-uniform environment, the time interval estimation is constructed, on which phenomenological Fick laws for diffusion phenomenon description can be used. The knowledge of these…
We address the problem of fine-tuning diffusion models for reward-guided generation in biomolecular design. While diffusion models have proven highly effective in modeling complex, high-dimensional data distributions, real-world…
Continuum emission from a solar flare observed with the Extreme ultraviolet Imaging Spectrometer (EIS) on board the Hinode satellite is used to obtain the radiometric calibration of the instrument. The flare had a GOES class of M8, and…
In this work, the van der Waals fluid model, a diffuse-interface model for liquid-vapor two-phase flows, is numerically investigated. The thermodynamic properties of the van der Waals fluid are first studied. Dimensional analysis is…
We develop a framework for on-the-fly machine learned force field (MLFF) molecular dynamics (MD) simulations of warm dense matter (WDM). In particular, we employ an MLFF scheme based on the kernel method and Bayesian linear regression, with…
We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded on the classical thermally activated two-dimensional…
The widespread use of diffusion methods enables the creation of highly realistic images on demand, thereby posing significant risks to the integrity and safety of online information and highlighting the necessity of DeepFake detection. Our…
We have developed a gas flow model in the spent nuclear fuel during the annealing. It postulates that the gas release during an isothermal plateau at 1200{\textdegree}C corresponds to the equilibrium between overpressure gas reservoirs in…
Diffusion models are effective for waypoint prediction in visual navigation, but standard sampling and test time guidance can produce unreliable or inefficient trajectories when updates drift off the training manifold. We propose Fisher…