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

Virtual Cement and Concrete Testing Laboratory

Ongoing

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

Ongoing

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

Computational Micromagnetics

Ongoing

NIST researchers develop simulation tools to support modeling, measurement and fundamental understanding of micromagnetic physics.

Modeling Dispersion Rheology for Non-Spherical Particles

Completed

The flow of polymer composites via injection molding, spraying or spreading on surfaces is crucial to polymer composite manufacturing. For single-phase liquids

Publications

AbsorbanceQ: An App for Generating Absorbance Images from Brightfield Images

January 4, 2022

Author(s)

Stephen Zimmerman, Carl Simon Jr., Greta Babakhanova

The AbsorbanceQ app converts brightfield microscope images into absorbance images that can be analyzed and compared across different operators, microscopes and

Precise Numerical Differentiation of Thermodynamic Functions with Multicomplex Variables

November 29, 2021

Author(s)

Ian Bell, Ulrich Deiters

The multicomplex finite-step method for numerical differentiation is an extension of the popular Squire--Trapp method, which uses complex arithmetics to compute

Dual current anomalies and quantum transport within extended reservoir simulations

October 19, 2021

Author(s)

Gabriela Wojtowicz, Justin E. Elenewski, Marek Rams, Michael P. Zwolak

Quantum transport simulations are rapidly evolving, including the development of well–controlled tensor network techniques for many– body transport calculations

Performance of Reservoir Discretizations in Quantum Transport Simulations

September 29, 2021

Author(s)

Justin E. Elenewski, Gabriela Wojtowicz, Marek Rams, Michael P. Zwolak

Quantum transport simulations require a level of discretization, often achieved through an explicit representation of the electronic reservoirs. These

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

Custom Lifetime Imaging Platform (CLIP)

CLIP is an analysis program for fluorescence lifetime images. It provides the user with the ability to fit or calculate the phasor plots for lifetime decays

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