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Phonons play a critical role in determining various material properties, but conventional methods for phonon calculations are computationally intensive, limiting their broad applicability. In this study, we present an approach to accelerate…

Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…

The increased bandwidth coupled with the large numbers of antennas of several new radio telescope arrays has resulted in an exponential increase in the amount of data that needs to be recorded and processed. In many cases, it is necessary…

Strong gravitational lensing is a powerful probe of cosmology and the dark matter distribution. Efficient lensing software is already a necessity to fully use its potential and the performance demands will only increase with the upcoming…

This paper highlights first steps towards enabling graphics processing unit (GPU) acceleration of the task-parallel smoothed particle hydrodynamics (SPH) solver SWIFT. Novel combinations of algorithms are presented, enabling SWIFT to…

Matrix multiplication is a foundational operation in scientific computing and machine learning, yet its computational complexity makes it a significant bottleneck for large-scale applications. The shift to parallel architectures, primarily…

GPU-accelerated computing is a key technology to realize high-speed inference servers using deep neural networks (DNNs). An important characteristic of GPU-based inference is that the computational efficiency, in terms of the processing…

We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…

Speculative decoding has emerged as a powerful method to improve latency and throughput in hosting large language models. However, most existing implementations focus on generating a single sequence. Real-world generative AI applications…

The identification, and subsequent discovery, of fast radio transients through blind-search surveys requires a large amount of processing power, in worst cases scaling as $\mathcal{O}(N^3)$. For this reason, survey data are generally…

The convex hull is a fundamental geometrical structure for many applications where groups of points must be enclosed or represented by a convex polygon. Although efficient sequential convex hull algorithms exist, and are constantly being…

Numerical continuation methods track a solution path defined by a homotopy. The systems we consider are defined by polynomials in several variables with complex coefficients. For larger dimensions and degrees, the numerical conditioning…

Deep learning models can take weeks to train on a single GPU-equipped machine, necessitating scaling out DL training to a GPU-cluster. However, current distributed DL implementations can scale poorly due to substantial parameter…

This paper presents a novel approach to neuromorphic audio processing by integrating the strengths of Spiking Neural Networks (SNNs), Transformers, and high-performance computing (HPC) into the HPCNeuroNet architecture. Utilizing the Intel…

The broadband and ultrafast photoresponse of graphene has been extensively studied in recent years, although the photoexcited carrier dynamics is still far from being completely understood. Different experimental approaches imply either one…

We study the performance of a cloud-based GPU-accelerated inference server to speed up event reconstruction in neutrino data batch jobs. Using detector data from the ProtoDUNE experiment and employing the standard DUNE grid job submission…

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel GNN models…

In spite of their importance for understanding phonon transport phenomena in thin films and polycrystalline solids, the effects of boundary roughness scattering on phonon specularity and coherence are poorly understood because there is no…

As the size of real-world graphs increases, training Graph Neural Networks (GNNs) has become time-consuming and requires acceleration. While previous works have demonstrated the potential of utilizing FPGA for accelerating GNN training, few…

Witnessing the advancing scale and complexity of chip design and benefiting from high-performance computation technologies, the simulation of Very Large Scale Integration (VLSI) Circuits imposes an increasing requirement for acceleration…