Beyond conventional density functional theory: advanced quantum dynamical methods for understanding degradation of per-and polyfluoroalkyl substances
Computational chemistry methods, such as density functional theory (DFT), have now
become more common in environmental research, particularly for simulating the …
become more common in environmental research, particularly for simulating the …
Cost-Effective Methodology for Complex Tuning Searches in HPC: Navigating Interdependencies and Dimensionality
Tuning searches in High-Performance Computing (HPC) are challenged not only by the
need to finely tune parameters in application routines but also by considering their potential …
need to finely tune parameters in application routines but also by considering their potential …
On the Inorrect Use of Application Efficiency to Calculate Performance Portability
A Marowka - arXiv preprint arXiv:2407.00232, 2024 - arxiv.org
The emergence of heterogeneity in high-performance computing, which harnesses under
one integrated system several platforms of different architectures, also led to the …
one integrated system several platforms of different architectures, also led to the …
[PDF][PDF] Portability Efficiency Approach for Calculating Performance Portability
A Marowka - researchgate.net
The emergence of heterogeneity in high-performance computing, which harnesses under
one integrated system several platforms of different architectures, also led to the …
one integrated system several platforms of different architectures, also led to the …