Direct numerical simulations (DNS) of fuel-lean turbulent premixed hydrogen-enriched
flames are analyzed to improve understanding of local effects of molecular diffusion of fast …

Ammonia has been identified as a promising energy carrier that produces zero carbon
dioxide emissions when used as a fuel in gas turbines. Although the combustion properties …

Specialized computational chemistry packages have permanently reshaped the landscape
of chemical and materials science by providing tools to support and guide experimental …

In this study, the open-source Hypersonics Task-based Research (HTR) solver for
hypersonic aerothermodynamics is described. The physical formulation of the code includes …

Large scale simulations are a key pillar of modern research and require ever-increasing
computational resources. Different novel manycore architectures have emerged in recent …

Error-bounded lossy compression has been identified as a promising solution for
significantly reducing scientific data volumes upon users' requirements on data distortion …

The advent of Exascale computing invites an assessment of existing best practices for
developing application readiness on the world's largest supercomputers. This work details …

The advanced concepts in electronic structure (ACES) programs are products of the Bartlett
research group at the University of Florida. They consist of ACES II, which is serial, and …

CFD users of supercomputers usually resort to rule-of-thumb methods to select the number
of subdomains (partitions) when relying on MPI-based parallelization. One common …

We describe our experiences in creating mini-apps for the Wilson-Dslash stencil operator for
Lattice Quantum Chromodynamics using the Kokkos and SYCL programming models. In …