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The de novo generation of molecules with desirable properties is a critical challenge, where diffusion models are computationally intensive and autoregressive models struggle with error propagation. In this work, we introduce the Graph…
X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the…
The real-time electronic dynamics on material surfaces is critically important to a variety of applications. However, their simulations have remained challenging for conventional methods such as the time-dependent density-functional theory…
The report deals with classical and quantum descriptions of particles that interact with smooth random potentials, for example ultracold atoms in the dipole potential of an optical speckle pattern. In addition, a discussion of the link…
We derive a diffusion equation for light scattering from ejecta produced by extreme shocks on metallic samples. This model is easier to handle than a more conventional model based on the Radiative Transfer Equation (RTE), and is a relevant…
We develop a numerical solver for radiative transfer problems based on the weighted essentially nonoscillatory (WENO) scheme modified with anti-diffusive flux corrections, in order to solve the temperature and ionization profiles around a…
Context: Radiative feedback plays a crucial role in the formation of massive stars. The implementation of a fast and accurate description of the proceeding thermodynamics in pre-stellar cores and evolving accretion disks is therefore a main…
This work introduces Video Diffusion Transformer (VDT), which pioneers the use of transformers in diffusion-based video generation. It features transformer blocks with modularized temporal and spatial attention modules to leverage the rich…
An accurate description of nonadiabatic energy relaxation is crucial for modeling atomistic dynamics at metal surfaces. Interfacial energy transfer due to electron-hole pair excitations coupled to motion of molecular adsorbates is often…
For the flavor-singlet heavy quark system of charmonia in the pseudoscalar ($\eta_c(1S)$) channel, we calculate the elastic (EFF) and transition form factors (TFF) ($\eta_c(1S) \rightarrow \gamma \gamma^*$) for a wide range of photon…
Radiative heat transfer (RHT) at the nanoscale can vastly exceed the far-field blackbody limit due to the tunneling of evanescent waves, a phenomenon traditionally described by fluctuational electrodynamics (FE). While FE has been…
Despite their impressive generative performance, latent diffusion model-based virtual try-on (VTON) methods lack faithfulness to crucial details of the clothes, such as style, pattern, and text. To alleviate these issues caused by the…
Models with radiative symmetry breaking typically feature strongly supercooled first-order phase transitions, which result in an observable stochastic gravitational wave background. In this work, we analyse the role of higher order thermal…
In the present paper we propose a reduced temperature non-equilibrium model for simulating multicomponent flows with inter-phase heat transfer, diffusion processes (including the viscosity and the heat conduction) and external energy…
This paper introduces ITA-MDT, the Image-Timestep-Adaptive Masked Diffusion Transformer Framework for Image-Based Virtual Try-On (IVTON), designed to overcome the limitations of previous approaches by leveraging the Masked Diffusion…
In this work, a thermal energy transfer problem in a one-dimensional multilayer body is theoretically analyzed, considering diffusion, advection, internal heat generation or loss linearly dependent on temperature in each layer, as well as…
The Boltzmann transport equation (BTE) has proven indispensable in elucidating quasiballistic heat dynamics. Experimental observations of nondiffusive thermal transients, however, are interpreted almost exclusively through purely diffusive…
We present the formalism of Time-dependent Exchange Perturbation Theory (TDEPT) built to all orders of perturbation, for the arbitrary time dependency of perturbation. The theory takes into account the rearrangement of electrons among…
The van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of…
Using quantum gas microscopy we study the late-time effective hydrodynamics of an isolated cold-atom Fermi-Hubbard system subject to an external linear potential (a "tilt"). The tilt is along one of the principal directions of the…