With the increasing fidelity and resolution enabled by high-performance computing systems,
simulation-based scientific discovery is able to model and understand microscopic physical …

The increasing growth of data volume, and the consequent explosion in demand for
computational power, are affecting scientific computing, as shown by the rise of extreme …

In-situ workflows are a particular class of scientific workflows where different components
(such as simulation, visualization, machine learning, and data analysis) run concurrently. In …

Scientific breakthroughs in biomolecular methods and improvements in hardware
technology have shifted from a long‐running simulation to a large set of shorter simulations …

Computational science [1] is currently developing as a large multidisciplinary scientific
direction where multiple areas are joined together. Initially appeared at the intersection of …

The presented report includes workflow model for biomedical data. The proposed model is a
solution for the case study of two-dimensional data classification. The experiments are …

Molecular dynamics (MD) simulations are widely used to study large-scale molecular
systems. HPC systems are ideal platforms to run these studies, however, reaching the …

Due to the growing gap between computation and I/O capabilities of large-scale computing
systems, in situ processing has become a widely adopted approach complementary to post …

Scientific breakthroughs in biomolecular methods and improvements in hardware
technology have shifted from a single long-running simulation to a large set of shorter …

In-situ workflows are a special class of scientific workflows, where different component
applications (such as simulation, visualization, analysis) run concurrently, and data flows …