Related papers: JAX-BTE: A GPU-Accelerated Differentiable Solver f…

Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling can accurately predict materials properties but, in order to…

The phonon Boltzmann transport equation (BTE) is widely used for describing multiscale heat conduction (from nm to $\mu$m or mm) in solid materials. Developing numerical approaches to solve this equation is challenging since it is a…

In this paper, we present a GPU-accelerated direct-sum boundary integral method to solve the linear Poisson-Boltzmann (PB) equation. In our method, a well-posed boundary integral formulation is used to ensure the fast convergence of Krylov…

Although FFT-based methods are renowned for their numerical efficiency and stability, traditional discretizations fail to capture material interfaces that are not aligned with the grid, resulting in suboptimal accuracy. To address this…

Solving large dense linear systems and eigenvalue problems is a core requirement in many areas of scientific computing, but scaling these operations beyond a single GPU remains challenging within modern programming frameworks. While highly…

We present a novel, JAX-powered implementation of a parametric component-separation method for CMB polarization data, explicitly designed to handle spatially varying foreground Spectral Energy Distributions (SEDs). The approach models this…

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 report computational uncertainties in Boltzmann Transport Equation (BTE)-based lattice thermal conductivity prediction of 50 diverse semiconductors from the use of different BTE solvers (ShengBTE, Phono3Py, and in-house code) and…

In this paper we present a multilevel projection-based iterative scheme for solving thermal radiative transfer problems that performs iteration cycles on the high-order Boltzmann transport equation (BTE) and low-order moment equations.…

We present TORAX, a new, open-source, differentiable tokamak core transport simulator implemented in Python using the JAX framework. TORAX solves the coupled equations for ion heat transport, electron heat transport, particle transport, and…

We present a finite difference numerical algorithm for solving two dimensional spatially homogeneous Boltzmann transport equation which describes electron transport in a semiconductor superlattice subject to crossed time dependent electric…

Shock dynamics and nonlinear wave propagation are fundamental to computational fluid dynamics (CFD) and high-speed flow modeling. In this study, we developed explicit and implicit finite-difference solvers for the one-dimensional Burgers…

In this paper we solve the Boltzmann transport equation using AI libraries. The reason why this is attractive is because it enables one to use the highly optimised software within AI libraries, enabling one to run on different computer…

We introduce JAX FDM, a differentiable solver to design mechanically efficient shapes for 3D structures conditioned on target architectural, fabrication and structural properties. Examples of such structures are domes, cable nets and…

In this paper we deal with the extension of the Fast Kinetic Scheme (FKS) [J. Comput. Phys., Vol. 255, 2013, pp 680-698] originally constructed for solving the BGK equation, to the more challenging case of the Boltzmann equation. The scheme…

In this paper analysis is performed on a computational method for thermal radiative transfer (TRT) problems based on the multilevel quasidiffusion (variable Eddington factor) method with the method of long characteristics (ray tracing) for…

We demonstrate a practical differentiable programming approach for acoustic inverse problems through two applications: admittance estimation and shape optimization for resonance damping. First, we show that JAX-FEM's automatic…

Accurately predicting phonon scattering is crucial for understanding thermal transport properties. However, the computational cost of such calculations, especially for four-phonon scattering, can often be more prohibitive when large number…

We introduce a methodology for density-based topology optimization of non-Fourier thermal transport in nanostructures, based upon adjoint-based sensitivity analysis of the phonon Boltzmann transport equation (BTE) and a novel material…

We present a massively parallel, GPU-accelerated implementation of the Bethe-Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting…