计算物理
Lattice Boltzmann (LB) on quantum devices must reconcile unitary gate evolution with the dissipative \emph{collision} step. In the multiple-relaxation-time (MRT) class, we work in the common setting of \emph{modewise diagonal} moment…
Precipitation in complex terrain is governed by orographic processes operating at scales of a few kilometers, yet climate models typically run at resolutions of 50--100~km where this topographic detail is absent. Dynamical downscaling with…
The microstructure of Ti-6Al-4V has a decisive impact on its mechanical performance; however, controlling phase composition during Laser Powder Bed Fusion (LPBF) remains difficult because of the inherent localized and cyclic thermal…
We present an extension of the OSIRIS particle-in-cell (PIC) code that introduces an axion macroparticle species and three axion-production channels commonly used in thermal-plasma axion phenomenology: screened Primakoff conversion $(\gamma…
Modeling relaxation phenomena in complex media is central to understanding multiscale dynamics in materials science, bioengineering and condensed matter physics. Existing fractional-order models, while flexible, sometimes lack physical…
The Heatbath Algorithm is commonly used for sampling in local lattice field theories, but performing exact updates or sampling from the local density is challenging when dealing with continuous variables. Heatbath methods rely on…
Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) environments remains…
A thin-sheet (TS) volume integral equation (VIE) formulation incorporating generalized sheet transition conditions (GSTCs) is presented for the simulation of three-dimensional (3D) bianisotropic metasurfaces. The metasurface is represented…
Neural network potentials (NNPs) are rapidly changing the landscape of state-of-the-art molecular dynamics (MD) simulations. To make full use of this development, the community needs flexible, easy-to-use interfaces firmly integrated with…
The M\"{u}ller boundary integral equation for penetrable electromagnetic scattering is conventionally discretized using divergence-conforming basis functions, a restriction inherited from the PMCHWT framework. This paper demonstrates that…
The Madden-Julian Oscillation (MJO) is a planetary-scale convective system characterized by large-scale envelopes of enhanced and suppressed convection that contain numerous mesoscale convective systems (MCSs). While MCSs are widely…
Mesoscale convective systems MCSs play a central role in tropical rainfall and are closely linked to extreme precipitation and large scale variability. However, a quantitative understanding of their environmental controls remains…
The Parker-Sochacki (PS) method is investigated as an alternative to Runge-Kutta (RK) methods for solving the Lorentz equations of motion for a charged particle in a static magnetic field. Traditional methods, including fixed-time-step…
A systematic comparison was carried out to assess the influence of representative thermostat methods in constant-temperature molecular dynamics simulations. The thermostat schemes considered include the Nos\'e--Hoover thermostat and its…
Here we report the development of SPRAY, a massively parallel GPU accelerated, smoothed particle hydrodynamics (SPH)-based, radiation hydrodynamics (RHD) code designed specifically for simulating high intensity laser-plasma interactions.…
Multiscale homogenization of woven composites requires detailed micromechanical evaluations, leading to high computational costs. Data-driven surrogate models based on neural networks address this challenge but often suffer from big data…
The complexity and significance of multiscale phenomena in fusion energy systems make advanced modeling necessary for designing, optimizing, and safely deploying fusion plants. Tritium accountancy is one of those challenges for…
Micromechanics-based granular models are widely used to predict the failure behavior of porous and particulate materials, including concrete, soils, foams, and biological tissues. Although these models offer considerable flexibility through…
Coherent surface scattering imaging (CSSI) is an emerging experimental technique uniquely suited to probing the structure of thin nanostructures. In these experiments, a specimen is placed on a substrate, and a series of X-ray diffraction…
Accurate assessment of central hemodynamics is essential for diagnosis and risk stratification, yet it still relies largely on invasive measurements or on indirect reconstructions built from population-averaged transfer functions. While…