Numerical methods & software

News and Updates

Not Just a Pretty Facet: New NIST algorithm for NV center diamond magnetometry speeds up experiments by an order of magnitude

February 19, 2021

Some might call it a diamond in the rough: NV center magnetometry, which uses specially adapted diamonds to make sensitive measurements of magnetic signals, is

A medical worker administers a nasal swab test to a person in a car.

NIST Innovation Could Improve Detection of COVID-19 Infections

October 5, 2020

A multidisciplinary research team at the National Institute of Standards and Technology (NIST) has developed a way to increase the sensitivity of the primary

Calibration of a Commercial Rheometer for Orthogonal Superposition Measurement

March 12, 2020

NIST researchers have addressed crucial calibration procedures for an advanced rheological technique that can make measurements on the structural dynamics of

Projects and Programs

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µMAG: Micromagnetic Modeling Activity Group

Micromagnetics concerns the patterns of magnetization that arise in materials on the scale of nanometers. Understanding these structures is key to technologies

Computational Chemistry

Ab initio computational chemistry is considered to be one of the holy grails of computational science. The benefits to society range from lighter, stronger

Virtual Cement and Concrete Testing Laboratory

The Virtual Cement and Concrete Testing Laboratory (VCCTL) project develops and integrates state-of-the-art computational materials science tools into a user

Simulation Management Tools

An important part of the MGI effort is providing infrastructure and tools to enable reproducible research in computational materials science. For reproducible

Publications

On the Benefits of Whole-building IAQ, Ventilation, Infiltration, and Energy Analysis Using Co-simulation between CONTAM and EnergyPlus

September 13, 2021

Author(s)

William Stuart Dols, Chad Milando, Lisa Ng, Steven Emmerich, Jyrteanna Teo

Publicly available tools to perform whole-building simulation of indoor air quality, ventilation, and energy have been available for several decades. Until

Macroscale Property Prediction for Additively Manufactured IN625 from Microstructure through Advanced Homogenization

July 30, 2021

Author(s)

Sourav Saha, Orion Kafka, Ye Lu, Cheng Yu, Wing Kam Liu

Design of additively manufactured metallic parts requires computational models that can predict the mechanical response of parts considering the microstructural

Real-time and high-throughput Raman signal extraction and processing in CARS hyperspectral imaging

June 9, 2021

Author(s)

Charles Camp, John S. Bender, Young Lee

We present a new collection of processing techniques, collectively "factorized Kramers-Kroenig and error correction" (fKK-EC), for (a) Raman signal extraction,

VEMOS: A GUI for Evaluation of Similarity Metrics on Complex Data Sets

June 7, 2021

Author(s)

Gunay Dogan, Eve Fleisig

Similarity and dissimilarity metrics are a fundamental component of many tasks requiring the analysis and comparison of complex, often visual data. Applications

Software

HVAC SIMulation PLUS other systems (HVACSIM+)

May 11, 2021

The first version of HVACSIM+, which stands for “HVAC SIMulation PLUS other systems”, was introduced by National Institute of Standards and Technology (NIST) in

NIST's Integrated Colony Enumerator (NICE)

January 4, 2021

Enumeration of bacterial colonies on an agar plate is simple in concept, but automated colony counting is difficult due to variations in colony color, size

Limits of Detection - ASTM E2677

September 12, 2018

ASTM subcommittee E54.01 has developed a Standard Test Method for the determination of Limit of Detection (LOD) in trace explosive detectors. The Method was

Network Modeling Software

This software is a set of NetworkX additions for the creation of graphs to model networks.Graphicality Testing -- This is a set of routines for testing if a

Tools and Instruments

Automated Scanning Electron Microscope

The ASPEX Personal SEM (PSEM) is a tungsten filament scanning electron microscope optimized for automated particle analysis. The system was designed with

Awards

Xiao Tang - 2016 Fellow of the American Physical Society

For outstanding contributions in optical technologies and systems, with application to quantum communications, spectrometry, and digital