16s data from MSC-2 growth 3 fastq of 16s amplicon data of MSC2 1 csv file of raw ASV abundances for MSC2
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Metatranscriptomic data from MSC-2 12 fastq files (6 forward read, 6 reverse read) describing transcriptomic response of MSC-2 during chitin growth. 1 csv file showing normalized gene expression values
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Structures of putative minima and low-energy networks for water clusters of sizes n = 3–30 as described in the manuscript by Avijit Rakshit and Pradipta Bandyopadhyay, Joseph P. Heindel and Sotiris S. Xantheas “Atlas of putative minima and low-lying energy networks of water clusters n=3-25”, Journal...
Intermolecular and long-range interactions are central to phenomena as diverse as gene regulation, topological states of quantum materials, electrolyte transport in batteries, and the universal solvation properties of water. We present a set of challenge problems for preserving intermolecular...
Cu-Ni bilayers either without defects (pristine) or with a single vacancy in the nickel layer at the interface (1-Ni-1), in the copper layer at the interface (1-Cu-1), in the central nickel layer (1-Ni-3), or in the central copper layer (1-Cu-3) were relaxed under the application of shear in the...
A trained neural net potential (NNP) was use to simulate shear in the [011] direction in Cu-Ni multilayers. We applied the NNP to a Monte Carlo scheme to generate parallel shear simulations, demonstrating the range of possible trajectories that can be obtained due to speedups provided by the NNP...
This dataset includes one baseline and three cybersecurity based scenarios utilizing the IEEE 9 Bus Model. This instantiation of the IEEE 9 model was built utilizing the OpalRT Simulator ePhasorsim module, with Bus 7 represented by hardware in the loop (HiL). The HiL was represented by two SEL351s...
The PNNL-PFAS database was constructed to provide quantitative infrared spectra of per- and polyfluoroalkyl substances (PFAS) in the gas phase. These fluorine-rich, organic compounds have been used as non-flammable solvents, cleaning agents, and in the manufacture of a diverse variety of consumer...