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Density-functional perturbation theory (DFPT) is nowadays the method of choice for the accurate computation of linear and non-linear response properties of materials from first principles. A notable advantage of DFPT over alternative…
A direct numerical solution of the radiative transfer equation or any kinetic equation is typically expensive, since the radiative intensity depends on time, space and direction. An expansion in the direction variables yields an equivalent…
The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…
Data-dependent metrics are powerful tools for learning the underlying structure of high-dimensional data. This article develops and analyzes a data-dependent metric known as diffusion state distance (DSD), which compares points using a…
Thermal radiation transport is a challenging problem in computational physics that has long been approached primarily in one of a few standard ways: approximate moment methods (for instance P$_1$ or M$_1$), implicit Monte Carlo, discrete…
Methods to extract information from the tracking of mobile objects/particles have broad interest in biological and physical sciences. Techniques based on simple criteria of proximity in time-consecutive snapshots are useful to identify the…
Particle physics simulations are the cornerstone of nuclear engineering applications. Among them radiotherapy (RT) is crucial for society, with 50% of cancer patients receiving radiation treatments. For the most precise targeting of tumors,…
The set of benchmark solutions used in the thermal radiative transfer community suffer some coverage gaps, in particular nonlinear, non-equilibrium problems. Also, there are no non-equilibrium, optically thick benchmarks. These shortcomings…
We study the statistics of fluid (gas) density and concentration of passive tracer particles (dust) in compressible turbulence. We raise the question of whether the fluid density which is an active field that reacts back on the transporting…
We present benchmark problems and solutions for the continuum radiative transfer (RT) in a 2D disk configuration. The reliability of three Monte-Carlo and two grid-based codes is tested by comparing their results for a set of well-defined…
Although the Boltzmann transport equation (BTE) has been exploited to investigate non-diffusive phonon transport for decades, due to the challenges of solving this integro-differential equation, most standard techniques for thermal…
Two-frequency radiative transfer (2f-RT) theory is developed for classical waves in random media. Depending on the ratio of the wavelength to the scale of medium fluctuation 2f-RT equation is either a Boltzmann-like integral equation with a…
Decision Transformer (DT), a trajectory modelling method, has shown competitive performance compared to traditional offline reinforcement learning (RL) approaches on various classic control tasks. However, it struggles to learn optimal…
The viscosity and self-diffusion constant of a mesoscale hydrodynamic method, dissipative particle dynamics (DPD), are investigated. The viscosity of DPD with finite time step, including the Lowe-Anderson thermostat, is derived analytically…
Doubly-parametric quantum transducers (DPTs), such as electro-opto-mechanical devices, show promise as quantum interconnects between the optical and microwave domains, thereby enabling long distance quantum networks between superconducting…
We present the first calculations of the inelastic part of the dynamical structure factor (DSF) for warm dense matter (WDM) using Time-Dependent Orbital-Free Density Functional Theory (TD-OF-DFT) and Mixed-Stochastic-Deterministic (mixed)…
Radiative heat-transport mediated by near-field interactions is known to be superdiffusive in dilute, many-body systems. In this Letter we use a generalized Landauer theory of radiative heat transfer in many-body planar systems to…
We present a method for accelerating discrete ordinates radiative transfer calculations for radiative transfer. Our method works with nonlinear positivity fixes, in contrast to most acceleration schemes. The method is based on the dynamic…
We introduce the so called DeepParticle method to learn and generate invariant measures of stochastic dynamical systems with physical parameters based on data computed from an interacting particle method (IPM). We utilize the expressiveness…
We propose an efficient scheme, which combines density functional theory (DFT) with deep potentials (DP), to systematically study the convergence issues of the computed electronic thermal conductivity of warm dense Al (2.7 g/cm$^3$,…