Related papers: Case study of a differentiable heterogeneous multi…
Quantum computers (QCs) have the potential to solve critical problems significantly faster than today's most advanced supercomputers. One major challenge in realizing this technology is designing robust electrostatic pulses to realize…
Particle-In-Cell (PIC) methods are frequently used for kinetic, high-fidelity simulations of plasmas. Implicit formulations of PIC algorithms feature strong conservation properties, up to numerical round-off errors, and are not subject to…
This work presents a unified fluid modeling framework for reacting flows coupled with nonthermal plasmas (NTPs). Building upon the gas-plasma kinetics solver, ChemPlasKin, and the CFD library, OpenFOAM, the integrated solver, reactPlasFOAM,…
In this study, a species-clustered ordinary differential equations (ODE) solver for chemical kinetics with large detailed mechanisms based on operator-splitting is presented. The ODE system is split into clusters of species by using graph…
The effect of autoionizing resonances in atomic systems and processes is reviewed. Theoretical framework for treating resonances in the coupled channel approximation using the R-matrix method, as well as approximations related to plasma…
We introduce a general-purpose framework for interconnecting scientific simulation programs using a homogeneous, unified software interface. Our framework is intrinsically parallel, and conveniently separates all components in memory. It…
Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing development of new methods is necessary for accurate…
Learning the full family of solutions to parameterized partial differential equations (PDEs) is a central challenge to our ability to model the behavior of heterogeneous systems, with a variety of fundamental and application-oriented…
We present cudaclaw, a CUDA-based high performance data-parallel framework for the solution of multidimensional hyperbolic partial differential equation (PDE) systems, equations describing wave motion. cudaclaw allows computational…
The equilibrium of a finite-beta cylindrical RFP plasma in the presence of saturated-amplitude tearing modes is investigated. The singularities arising from the perturbative analysis of the MHD force balance equation JxB=grad(p) are…
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…
Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct…
Numerical simulations are ubiquitous in mathematics and computational science. Several industrial and clinical applications entail modeling complex multiphysics systems that evolve over a variety of spatial and temporal scales. This study…
Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landscapes generated on current noisy devices. We propose a hybrid…
We present linrax, the first simplex based linear program (LP) solver compatible with the JAX ecosystem. In many control algorithms, LPs are often automatically generated and frequently solved either offline or online in the control loop.…
Fully realizing the potential of multigrid solvers often requires custom algorithms for a given application model, discretizations and even regimes of interest, despite considerable effort from the applied math community to develop fully…
Large-scale simulations of the wave equation in electromagnetism, seismology, and acoustics, can be solved efficiently by finite difference methods. The accuracy of these numerical solutions usually depends on the minimization of…
The self-consistent modeling of vacuum polarization due to virtual electron-positron fluctuations is of relevance for many near term experiments associated with high intensity radiation sources and represents a milestone in describing…
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…
The quantum kinetic equation for charged particles in strong electric fields is derived and analyzed with respect to the particle flux. It is found that the applied electric field is screened nonlinearly. The relaxation field is calculated…