Multi-level parallelization of quantum-chemical calculations

DG Fedorov, BQ Pham - The Journal of Chemical Physics, 2023 - pubs.aip.org
Strategies for multiple-level parallelizations of quantum-mechanical calculations are
discussed, with an emphasis on using groups of workers for performing parallel tasks. These …

[HTML][HTML] GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading

PK Yeung, K Ravikumar, S Nichols… - Computer Physics …, 2025 - Elsevier
Fourier pseudo-spectral methods for nonlinear partial differential equations are of wide
interest in many areas of advanced computational science, including direct numerical …

Thermo4PFM: Facilitating phase-field simulations of alloys with thermodynamic driving forces

JL Fattebert, S DeWitt, A Perron, J Turner - Computer Physics …, 2023 - Elsevier
Phase-field modeling is a popular front-tracking approach used to model solidification. Its
time-evolution equations are often coupled to alloy composition and/or thermal diffusion in …

Performance evaluation of spatial fuzzy C-means clustering algorithm on GPU for image segmentation

NA Ali, A El Abbassi, O Bouattane - Multimedia tools and applications, 2023 - Springer
Image processing by segmentation technique is an important phase in medical imaging
such as MRI. Its objective is to analyze the different tissues in human body. In research area …

Outcomes of openMP hackathon: openMP application experiences with the offloading model (part II)

B Chapman, B Pham, C Yang, C Daley… - … Enabling Massive Node …, 2021 - Springer
This paper reports on experiences gained and practices adopted when using the latest
features of OpenMP to port a variety of HPC applications and mini-apps based on different …

An OpenMP GPU-offload implementation of a non-equilibrium solidification cellular automata model for additive manufacturing

AS Sabau, L Yuan, JL Fattebert, JA Turner - Computer Physics …, 2023 - Elsevier
In this paper, performance strategies on GPU-based HPC platforms of a cellular automata
(CA) simulation code for non-equilibrium solidification, including nucleation, grain growth …

An improved Poisson surface reconstruction algorithm based on the boundary constraints

Z Liu, L Wang, M Tahir, J Huang… - International …, 2023 - search.proquest.com
The usage of the point cloud surface reconstruction to generate high-precision 3D models
has been widely applied in various fields. In order to deal with the problems of insufficient …

An efficient parallel approach for quad-constellation GNSS real-time precise orbit determination enabling 5-second intervals updating

H Zheng, X Li, Y Yuan, J Wu, S Huang - Measurement, 2024 - Elsevier
Abstract Real-time Global Navigation Satellite System (GNSS) precise orbits are essential
prerequisites for real-time GNSS-based applications. However, the high computational …

A task-based approach to parallel restricted Hartree–Fock calculations

D Poole, JL Galvez Vallejo… - Journal of Chemical …, 2022 - ACS Publications
In recent years, parallelism via multithreading has become extremely important to the
optimization of high-performance electronic structure theory codes. Such multithreading is …

Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels

JL Fattebert, CFA Negre, J Finkelstein… - The Journal of …, 2024 - pubs.aip.org
To address the challenge of performance portability and facilitate the implementation of
electronic structure solvers, we developed the basic matrix library (BML) and Parallel, Rapid …