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Some of the computational limitations in solving the nuclear many-body problem could be overcome by utilizing quantum computers. The nuclear shell-model calculations providing deeper insights into the properties of atomic nuclei, is one…
This work discusses the performance of a modern numerical scheme for fluid dynamical problems on modern high-performance computing architectures. Our code implements a spatial nodal discontinuous Galerkin scheme that we test up to an order…
Computational Fluid Dynamics (CFD) simulations are essential for analyzing and optimizing fluid flows in a wide range of real-world applications. These simulations involve approximating the solutions of the Navier-Stokes differential…
We present a computational framework for the simulation of blood flow with fully resolved red blood cells (RBCs) using a modular approach that consists of a lattice Boltzmann solver for the blood plasma, a novel finite element based solver…
A computational fluid dynamics (CFD) simulation framework for fluid-flow prediction is developed on the Tensor Processing Unit (TPU) platform. The TPU architecture is featured with accelerated dense matrix multiplication, large high…
In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins $N$, leading to significant computational effort. The…
The strategic demand for quantum hardware currently outpaces the availability of near-term devices, necessitating high-performance software emulators to validate novel protocols. We introduce Hyperion, a massively parallel, GPU-accelerated…
High-performance computing (HPC) has revolutionized our ability to perform detailed simulations of complex real-world processes. A prominent contemporary example is from aerospace propulsion, where HPC is used for rotating detonation rocket…
Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…
Coherent elastic neutrino-nucleus scattering (CEvNS) provides a unique probe for neutrino properties Beyond the Standard Model (BSM) physics. REactor neutrino LIquid xenon Coherent Scattering experiment (RELICS), a proposed reactor neutrino…
The Crossroads supercomputer was designed to simulate some of the most complex physical devices in the world. These simulations routinely require 1/2 petabyte or more of system memory running on thousands of compute nodes for months at a…
Tensor network algorithms can efficiently simulate complex quantum many-body systems by utilizing knowledge of their structure and entanglement. These methodologies have been adapted recently for solving the Navier-Stokes equations, which…
PROCESS is a reactor systems code - it assesses the engineering and economic viability of a hypothetical fusion power station using simple models of all parts of a reactor system. PROCESS allows the user to choose which constraints to…
For the simulation of disruptions in tokamak fusion plasmas, a fluid model describing the evolution of relativistic runaway electrons and their interaction with the background plasma is presented. The overall aim of the model is to…
This paper presents transient numerical simulations of hydraulic systems in engineering applications using the spectral element method (SEM). Along with a detailed description of the underlying numerical method, it is shown that the SEM…
Using a realistic molecular catalyst system, we conduct scaling studies of ab initio molecular dynamics simulations using the CP2K code on both Intel Xeon CPU and NVIDIA V100 GPU architectures. We explore using process placement and…
Numerical simulation of strong-field quantum electrodynamics (SFQED) processes is an essential step towards current and future high-intensity laser experiments. The complexity of SFQED phenomena and their stochastic nature make them…
Novel methods are presented in this initial study for the fusion of GPU kernels in the artificial compressibility method (ACM), using tensor product elements with constant Jacobians and flux reconstruction. This is made possible through the…
High-resolution blood flow simulations have potential for developing better understanding biophysical phenomena at the microscale, such as vasodilation, vasoconstriction and overall vascular resistance. To this end, we present a scalable…
We report the implementation of a multi-CPU and multi-GPU massively parallel platform dedicated to the explicit inclusion of nuclear quantum effects (NQEs) in the Tinker-HP molecular dynamics (MD) package. The platform, denoted Quantum-HP,…