Related papers: CuPyMag: GPU-Accelerated Finite-Element Micromagne…
We present the AGATE simulation code, a Python-based framework developed primarily for solving the magnetohydrodynamics (MHD) equations while maintaining adaptability to other equation sets. The code employs a modular, object-oriented…
The Preconditioned Conjugate Gradient (PCG) method is widely used for solving linear systems of equations with sparse matrices. A recent version of PCG, Pipelined PCG, eliminates the dependencies in the computations of the PCG algorithm so…
We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…
Simulating large-scale microswimmer dynamics in viscous fluid poses significant challenges due to the coupled high spatial and temporal complexity. Conventional high-performance computing (HPC) methods often address these two dimensions in…
We introduce cuPDLPx, a further enhanced GPU-based first-order solver for linear programming. Building on the recently developed restarted Halpern PDHG for LP, cuPDLPx incorporates a number of new techniques, including a new restart…
This article presents MuMFiM, an open source application for multiscale modeling of fibrous materials on massively parallel computers. MuMFiM uses two scales to represent fibrous materials such as biological network materials (extracellular…
Many emerging cyber-physical systems, such as autonomous vehicles and robots, rely heavily on artificial intelligence and machine learning algorithms to perform important system operations. Since these highly parallel applications are…
Coarse grid projection (CGP) methodology is a novel multigrid method for systems involving decoupled nonlinear evolution equations and linear elliptic Poisson equations. The nonlinear equations are solved on a fine grid and the linear…
High-speed chemically active flows present significant computational challenges due to their disparate space and time scales, where stiff chemistry often dominates simulation time. While modern supercomputing scientific codes achieve…
With 3D Gaussian Splatting (3DGS) advancing real-time and high-fidelity rendering for novel view synthesis, storage requirements pose challenges for their widespread adoption. Although various compression techniques have been proposed,…
Real-time trajectory optimization for nonlinear constrained autonomous systems is critical and typically performed by CPU-based sequential solvers. Specifically, reliance on global sparse linear algebra or the serial nature of dynamic…
We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-substrate interactions onto precomputed spatial grids with…
Combinatorial optimization problems arise in logistics, scheduling, and resource allocation, yet existing approaches face a fundamental trade-off among generality, performance, and usability. We present cuGenOpt, a GPU-accelerated…
We introduce a particle-based simulation method for granular material in interactive frame rates. We divide the simulation into two decoupled steps. In the first step, a relatively small number of particles is accurately simulated with a…
BATSRUS, our state-of-the-art extended magnetohydrodynamic code, is the most used and one of the most resource-consuming models in the Space Weather Modeling Framework. It has always been our objective to improve its efficiency and speed…
We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2021)] and their implementation in the open-source package…
We present GPU-SLS, a GPU-parallelized framework for safe, robust nonlinear model predictive control (MPC) that scales to high-dimensional uncertain robotic systems and long planning horizons. Our method jointly optimizes an…
Modern 3D Computer-Aided-Design (CAD) systems use mainly two types of geometric models. Classically, objects are defined by a Boundary Representation (B-Rep), where only the objects' surfaces with their corresponding edges and nodes are…
Due to its flexible architecture, FPGAs support unique, deep hardware pipeline implementations for accelerating HPC applications. However, these devices are quite new in the HPC space, and thus, have been scarcely explored outside some…
Gaussian processes (GPs) are non-linear probabilistic models popular in many applications. However, na\"ive GP realizations require quadratic memory to store the covariance matrix and cubic computation to perform inference or evaluate the…