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Scientific computing in the exascale era demands increased computational power to solve complex problems across various domains. With the rise of heterogeneous computing architectures the need for vendor-agnostic, performance portability…
We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation…
Developing and redesigning astrophysical, cosmological, and space plasma numerical codes for existing and next-generation accelerators is critical for enabling large-scale simulations. To address these challenges, the SPACE Center of…
We present new results on the strong parallel scaling for the OpenACC-accelerated implementation of the high-order spectral element fluid dynamics solver Nek5000. The test case considered consists of a direct numerical simulation of…
This study systematically benchmarks several non-fault-tolerant quantum computing algorithms across four distinct optimization problems: max-cut, number partitioning, knapsack, and quantum spin glass. Our benchmark includes noisy…
ExaGRyPE describes a suite of solvers for numerical relativity, based upon ExaHyPE 2, the second generation of our Exascale Hyperbolic PDE Engine. The presented generation of ExaGRyPE solves the Einstein equations in the CCZ4 formulation…
GPUs are the heart of the latest generations of supercomputers. We efficiently accelerate a compressible multiphase flow solver via OpenACC on NVIDIA and AMD Instinct GPUs. Optimization is accomplished by specifying the directive clauses…
Quantum computation provides exponential speedup for solving certain mathematical problems against classical computers. Motivated by current rapid experimental progress on quantum computing devices, various models of quantum computation…
We ported to the GPU with CUDA the Astrometric Verification Unit-Global Sphere Reconstruction (AVU-GSR) Parallel Solver developed for the ESA Gaia mission, by optimizing a previous OpenACC porting of this application. The code aims to find,…
Solving linear systems of polynomial equations is a ubiquitous problem in both mathematics and physics. The standard approach, Gaussian elimination, scales cubically with system size and often constitutes a computational bottleneck. The…
With the advent of the Exascale capability allowing supercomputers to perform at least $10^{18}$ IEEE 754 Double Precision (64 bits) operations per second, many concerns have been raised regarding the energy consumption of high-performance…
We present the extension of GR-Athena++ to general-relativistic magnetohydrodynamics (GRMHD) for applications to neutron star spacetimes. The new solver couples the constrained transport implementation of Athena++ to the Z4c formulation of…
The increasing scale and nonlinearity of modern energy and power system problems pose significant challenges to classical numerical solvers. In parallel, advances in quantum and quantum-inspired hardware are expected to improve scalability…
We demonstrate NekRS performance results on various advanced GPU architectures. NekRS is a GPU-accelerated version of Nek5000 that targets high performance on exascale platforms. It is being developed in DOE's Center of Efficient Exascale…
We present Horizon, a new graphics processing unit (GPU)-accelerated code to solve the equations of general relativistic magnetohydrodynamics in a given spacetime. We evaluate the code in several test cases, including magnetized Riemann…
We extend the general-relativistic magnetohydrodynamics (GRMHD) capabilities of Athena++ to incorporate radiation. The intensity field in each finite-volume cell is discretized in angle, with explicit transport in both space and angle…
This paper addresses the challenge of providing portable and highly efficient code structures for CPU and GPU architectures. We choose the assembly of the right-hand term in the incompressible flow module of the High-Performance…
Non-equilibrium electronic quantum transport is crucial for the operation of existing and envisioned electronic, optoelectronic, and spintronic devices. The ultimate goal of encompassing atomistic to mesoscopic length scales in the same…
This work arises on the environment of the ExaNeSt project aiming at design and development of an exascale ready supercomputer with low energy consumption profile but able to support the most demanding scientific and technical applications.…
As part of the Exascale Computing Project (ECP), a recent focus of development efforts for the SUite of Nonlinear and DIfferential/ALgebraic equation Solvers (SUNDIALS) has been to enable GPU-accelerated time integration in scientific…