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the United States Government nor any agency thereof, or any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for any third party's use, or the results of such use, of any information, apparatus, product or process disclosed in this report, or represents that its use by such third party would not(More)
Sustainable software ecosystems are difficult to build, and require concerted effort, community norms and collaborations. In science it is especially important to establish communities in which faculty, staff, students and open-source professionals work together and treat software as a first-class product of scientific investigation-just as mathematics is(More)
The development of scientific software is often a partnership between domain scientists and scientific software engineers. It is especially important to embrace these collaborations when developing advanced scientific software , where sustainability, reproducibility, and extensi-bility are important. In the ideal case, as discussed in this manuscript, this(More)
—Extreme scale scientific simulations are leading a charge to exascale computation, and data analytics runs the risk of being a bottleneck to scientific discovery. Due to power and I/O constraints, we expect in situ visualization and analysis will be a critical component of these workflows. Options for extreme scale data analysis are often presented as a(More)
P Vh4 is an inexpensive, but extremely effective tool which allows a researcher to use workstations as nodes in a parallel processing environment to perform large-scale computations. The numerical approximation and visualization of seismic waves propagating in the earth strains today's largest supercomputers. We present timings and visualization for large(More)
Petascale simulations have become mission critical in diverse areas of science and engineering. Knowledge discovery from such simulations remains a major challenge and is becoming more urgent as the march towards ultra-scale computing with millions of cores continues. One major issue with the current paradigm of running the simulations and saving the data(More)
Peroxiredoxin-1 (PRDX1) is a multifunctional protein, acting as a hydrogen peroxide (H2O2) scavenger, molecular chaperone and immune modulator. Although differential PRDX1 expression has been described in many tumors, the potential role of PRDX1 in breast cancer remains highly ambiguous. Using a comprehensive antibody-based proteomics approach, we(More)
Computer simulations are growing in sophistication and producing results of ever greater fidelity. This trend has been enabled by advances in numerical methods and increasing computing power. Yet these advances come with several costs including massive increases in data size, difficulties examining output data, challenges in configuring simulation runs, and(More)