Related papers: Fast generation of quantum dynamics data using a G…

Continuous-Time Dynamic Graph (CTDG) precisely models evolving real-world relationships, drawing heightened interest in dynamic graph learning across academia and industry. However, existing CTDG models encounter challenges stemming from…

An efficient method of solving the time-dependent Schr\"odinger equation for pure states is described: At each timestep, a restricted subspace of the total Hilbert space is systematically and naturally constructed via the image of repeated…

The increasing application of cardiorespiratory simulations for diagnosis and surgical planning necessitates the development of computational methods significantly faster than the current technology. To achieve this objective, we leverage…

We introduce a variant of the Gatenby-Gawlinski model for acid-mediated tumor invasion, accounting for anisotropic and heterogeneous diffusion of the lactic acid across the surrounding healthy tissues. Numerical simulations are performed…

Computational Fluid Dynamics (CFD) is the simulation of fluid flow undertaken with the use of computational hardware. The underlying equations are computationally challenging to solve and necessitate high performance computing (HPC) to…

In this work, we investigate the capability of known quantum-computing algorithms for fault-tolerant quantum computing to simulate the laser-driven electron dynamics in small molecules such as lithium hydride. These computations are…

Serving deep neural networks in latency critical interactive settings often requires GPU acceleration. However, the small batch sizes typical in online inference results in poor GPU utilization, a potential performance gap which GPU…

We present distributed algorithms for training dynamic Graph Neural Networks (GNN) on large scale graphs spanning multi-node, multi-GPU systems. To the best of our knowledge, this is the first scaling study on dynamic GNN. We devise…

The dynamics of a closed quantum system is often studied with the direct evolution of the Schrodinger equation. In this paper, we propose that the gauge choice (i.e. degrees of freedom irrelevant to physical observables) of the Schrodinger…

We present a proof of concept for solving a 1+1D complex-valued, delay partial differential equation (PDE) that emerges in the study of waveguide quantum electrodynamics (QED) by adapting the finite-difference time-domain (FDTD) method. The…

Coupled nonlinear Schr\"odinger equations model various physical phenomena, such as wave propagation in nonlinear optics, multi-component Bose-Einstein condensates, and shallow water waves. Despite their extensive applications, analytical…

Nonlinear time-history evolution problems employing high-fidelity physical models are essential in numerous scientific domains. However, these problems face a critical dual bottleneck: the immense computational cost of time-stepping and the…

Scalable surrogate models enable efficient emulation of computer models (or simulators), particularly when dealing with large ensembles of runs. While Gaussian process (GP) models are commonly employed for emulation, they face limitations…

Discontinuous Galerkin (DG) methods for the numerical solution of partial differential equations have enjoyed considerable success because they are both flexible and robust: They allow arbitrary unstructured geometries and easy control of…

We equip dynamic geometry software (DGS) with a user-friendly method that enables massively parallel calculations on the graphics processing unit (GPU). This interplay of DGS and GPU opens up various applications in education and…

The time-dependent Schrodinger equation (TDSE) is usually treated in real space in the textbook. However, it makes the numerical simulations of strong-field processes difficult due to the wide dispersion and fast oscillation of the electron…

A Gaussian process (GP)-based methodology is proposed to emulate complex dynamical computer models (or simulators). The method relies on emulating the numerical flow map of the system over an initial (short) time step, where the flow map is…

We show how to accelerate the direct solution of the Boltzmann equation using Graphics Processing Units (GPUs). In order to fully exploit the computational power of the GPU, we choose a method of solution which combines a finite difference…

The real-time flux dynamics of up to three superconducting quantum interference devices (SQUIDs) are studied by numerically solving the time-dependent Schr\"odinger equation. The numerical results are used to scrutinize the mapping of the…

This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on gpu hardware using single precision. The simulations use a vortex particle method…