All the data in this project are generated running Density Functional (DFT) simulation either on NIST computer clusters of through our collaborators at University of Florida. The final data consist in relaxed atomic structures and corresponding energetic, mechanical, electronic and phonon properties. The metadata consist in the initial and relaxed structures, the description of the code, of the k points and of all the parameters used in running the simulations (energy or real space cutoff, type of minimization, occupation, etc.).

Using a modified Thomas-Fermi approximation, we model a reference semiconductor system comprising a quasi-1D nanowire with a series of five depletion gates whose voltages determine the number of quantum dots (QDs), the charges on each of the QDs, as well as the conductance through the wire. The original dataset, QFlow lite, consists of 1 001 idealized simulated measurements with gate configurations sampling over different realizations of the same type of device.

There is often a large amount of maintenance data already available for use in Smart Manufacturing systems, but in a currently-unusable form: service tickets and maintenance work orders (MWOs). Nestor is a toolkit for using Natural Language Processing (NLP) with efficient user-interaction to perform structured data extraction with minimal annotation time-cost.

The Micronutrients Measurement Quality Assurance Program (MMQAP) was coordinated by the Chemical Sciences Division and supported measurement technology for selected fat- and water-soluble vitamins and carotenoids in human serum. This program was initiated in 1984 by the National Cancer Institute Division of Cancer Prevention and Control to ensure the long-term reliability of the measurements made while studying the possible cancer chemoprevention roles of these compounds.

The Manufacturing Cost Guide is a tool that estimates the costs that US manufacturers face and can be used to help gauge the potential returns on manufacturing industry research projects through cost reductions. These costs are grouped into various standardized categories such as the North American Industry Classification System (NAICS) and the Standard Occupational Classification (SOC) system along with other non-standardized costs.

The tool can be used to answer questions such as:

The REsource for Materials Informatics (REMI) will host a diverse collection of scripting notebooks (Jupyter, Matlab LiveScripts, etc.) for collecting, pre-processing, analyzing, and visualizing materials data. Notebooks are curated using tags aligned to Materials Science and Data Science topics. REMI emerged from the realization that both experts and novices wanted examples of using machine learning for science. Meanwhile, lots of experts are developing digital notebooks (e.g. Jupyter) to demonstrate step-by-step data collection, pre-processing, analysis and visualization.

Atomic Bose-Einstein condensates (BECs) are widely investigated systems that exhibit quantum phenomena on a macroscopic scale. For example, they can be manipulated to contain solitonic excitations including conventional solitons, vortices, and many more. Broadly speaking, solitonic excitations are solitary waves that retain their size and shape and often propagate at a constant speed. They are present in many systems, at scales ranging from microscopic, to terrestrial and even astronomical.

The NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials is a free, web-based catalog of adsorbent materials and measured adsorption properties of numerous materials obtained from article entries from the scientific literature. Search fields for the database include adsorbent material, adsorbate gas, experimental conditions (pressure, temperature), and bibliographic information (author, title, journal), and results from queries are provided as a list of articles matching the search parameters.

Compressed-liquid density data for pure fluids and binary mixtures. Temperature range 270 K to 470 K up to pressures of 50MPa.

SRM 1546a Meat Homogenate - This Standard Reference Material (SRM) is intended primarily for validation of methods for determining fatty acids, cholesterol, proximates, calories, elements, vitamins, and amino acids in canned meat products and similar materials. This SRM can also be used for quality assurance when assigning values to in-house reference materials. The meat homogenate is a mixture of pork and chicken products blended together in a commercial process. A unit of SRM 1546a consists of four cans, each containing approximately 85 g of material.