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Mathematics & Statistics

Projects/Programs

Keyword

Organizational Unit

Free Energy and Advanced Sampling Simulation Toolkit (FEASST)

Ongoing

Intended Impact While flat-histogram Monte Carlo simulations have been shown to be a promising method for the direct calculation of complex fluid phase behavior with a variety of applications, most open-source Monte Carlo simulation packages do not support this method. We have therefore made FEASST

Functional Analysis of Variance

Ongoing

Assessment of measurement data often raises statistical inference questions which have not been adequately addressed in the statistical literature. For example, NIST scientists may encounter issues on whether two measurement techniques give arise to similar measurement curves, whether there is a

Space filling models of bent and straight alkyl chains tethered to silica that represent disordered and ordered models.

Fundamental Studies of the Conformational Phase Behavior of Chain Molecules at Interfaces

Intended Impact Predicting how the conformational phase behavior of tethered chain molecules depends on external variables is challenging. Understanding how even simple models for tethered chain molecules depend on external variables will greatly aid our understanding of tethered chain systems

Future Computing Systems and AI

Ongoing

Electrons confined in arrays of semiconductor nanostructures, called quantum dots (QDs), are a promising quantum computing approach. Due to the ease of control of the relevant parameters, fast measurement of the spin and charge states, relatively long decoherence times, and their potential for

High Rate Testing

Ongoing

This project involves sample geometry and metrological development for high rate servohydraulic testing. (Content to be uploaded soon)

Identification, Suitability Testing, and Property Determination from Untargeted Measurements

Ongoing

In many applications, detailed knowledge of a fluid mixture’s physical behavior is needed. This can include physical properties such as viscosity and qualitative properties such as solubility. For instance, a dissolved polymer may suddenly precipitate out of solution when exposed to saline, and if

timeline of neutron detector image spatial resolution

Imaging: Evolution of Neutron Image Detector Spatial Resolution

Ongoing

Neutron imaging has yielded valuable insight into the water content of fuel cells because minimal changes to a test section are needed. A limit of neutron imaging is the achievable spatial resolution, which is primarily dominated by the detector. Figure 1 shows the evolution of the spatial

Indoor Localization and Tracking

Completed

Please see the page that describes NIST work in this area.

LANTERN - Interpretable modeling of genotype-phenotype landscapes with state-of-the-art predictive power

Ongoing

LANTERN: genotype-phenotype LANdscape in TERpretable Non-parametric model The bioeconomy is increasingly data-driven, relying on large-scale measurements to rapidly engineer novel functions. To facilitate rational engineering, where complex designs are constructed from well understood components

Machine Learning: Educating the Next Generation Materials Workforce

Ongoing

Annual Bootcamp: Machine Learning for Materials Research (MLMR) The fifth annual MLMR met in the summer of 2020 with 180 attendees from 12 countries, 30% of whom were from industry. Over the 5 years of the bootcamp, we have had attendees from a total of 19 countries. We also run tutorials at MRS

Materials Informatics

Ongoing

To develop the need data infrastructure and informatics tools, NIST is focusing on three areas: data curation, data infrastructure, and data access. Data curation efforts include efforts to develop a phase-based materials ontology to ensure that the data is represented in a semantically

Mathematics of Metrology: Foundations and Applications

Ongoing

Mathematics plays an important role in the science of metrology. Mathematical models are needed to understand how to design effective measurement systems, and to analyze the results they produce. Mathematical techniques are used to develop and analyze idealized models of physical phenomena to be

Metrology for Cardiac Leads

Ongoing

Quantifying cardiac lead reliability is not an easy task because of the vastly different conditions under which leads must operate under when installed in a human body. The committee is actively involved in many aspects of cardiac lead reliability including: gage repeatability and reproducibility

Modeling Dispersion Rheology for Non-Spherical Particles

Completed

The goal of this MGI project is to establish an interactive database, generated by sophisticated modeling, such as dissipative particle dynamics and smooth particle hydrodynamics, to compute the rheological properties of polymer composites, where interaction among inclusions, inclusion particle

NIST Law Enforcement Test Bed for Optimization of Trace Contraband Detection Equipment

Ongoing

The NIST Test Bed, a collaboration between the NIST MML's Surface and Trace Chemical Analysis and the NIST Emergency Services Division, allows MML researchers to work directly with active security personnel to optimize entry point screening technologies and procedures. One of the most critical steps

NIST Proficiency Testing

Ongoing

A typical lot of NIST SRMs has 300 units, with 5 specimens in each unit. These SRMs are tested by customers and the customer verification data is returned to NIST for evaluation according to the requirements of ASTM E23. Once a minimum of 50 verification results are returned to NIST for a particular

NIST PS1 Primary Standard for quantitative NMR (Benzoic Acid)

Completed

With explicit SI linkage, the overall impact of this apical reference material is profound—this primary standard, as well as forthcoming members of its class, provides technology transfer of chemical purity realization to the commercial sector for characterization of many thousands of organic

NIST/SEMATECH Engineering Statistics Handbook

Ongoing

Description: The project began with a request from SEMATECH, a consortium of major U.S. semiconductor manufacturers, to update the National Bureau of Standards (NBS) Handbook 91, Experimental Statistics. Handbook 91, written by Mary Natrella of the NBS Statistical Engineering Lab, was a best-selling

Image depiction of: To connect two nodes operating at different wavelengths, there are generally two strategies: (1) use quantum frequency conversion or quantum transduction to convert the wavelength of the photon emitted by one node to the wavelength of the second node, or (2) connect the two nodes using an entangled photon pair source whose two photons have wavelengths that match the two nodes. Both techniques involve nonlinear optics.

Nonlinear Optics for Quantum Information and Networking

Ongoing

Quantum networking and distributed quantum sensing will require photonic links (so called flying qubits) to connect nodes and enable scaling to larger distances and network sizes. An interconnect may consist of a photon going from one node to another where both nodes operate at the same wavelength

OOF

Ongoing

The OOF project is a software development project designed to make advanced computational modeling capabilities available to materials science researchers who are not themselves computational experts. Researchers bring domain expertise from materials science to assist in building high-quality finite

The Parallel Hierarchical Adaptive MultiLevel Project (PHAML)

Ongoing

The main accomplishments and features of PHAML are: low and high order finite elements on triangle grids a novel approach to parallel data distribution (the Full Domain Partition) h-, p-, and hp-adaptive mesh refinement based on newest node bisection multiple choices for a posteriori error

Prediction of Global Warming Potential

Ongoing

Goals Use ANN models to fit RF and .OH rate constant data k(.OH). Be able to predict RF, k(.OH), and GWP with reasonable accuracy using readily available information. Create a screening tool based on the ANNs.  Research Activities Improve the performance of rate constant prediction. Compare rate

Quantitative, Traceable Determination of Cell Viability Using Absorbance Microscopy

Ongoing

The current gold standard for cell viability measurements is the trypan blue assay. Trypan blue dye enters dead cells that have a ruptured membrane. As a result, the dead cells are stained blue. Live cells with an intact membrane, on the other hand, do not absorb the dye molecules and remain

Quantum Bioimaging

Ongoing

Our efforts in BBD are focused on using the quantum nature of light to facilitate enhanced and novel measurement technologies for biological samples. For example, so-called bright squeezed laser sources enable imaging and sensing with less noise than is classically possible. Additionally, entangled

Radiative Decay of the Neutron

Ongoing

When a neutron decays by its radiative decay (RDK) mode, it produces a photon with a energy spectrum predicted by Quantum Electrodynamics. These RDK photons deposit energy in scintillators which produce voltage pulses in Avalanche Photo Diodes. We are developing nonlinear calibration models to

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