Materials Genome Initiative (MGI)

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PROJECTS/PROGRAMS

Integrated Nanoscale Experimentation, Prediction, and Validation

The increased performance of modern computational systems has enabled the size and time scales of materials models to be increased significantly. In parallel

Uncertainty Quantification in Computational Materials Science

We are investigating and promoting applications of uncertainty quantification to problems in computational material science. Detailed investigation of promising

CALPHAD Data Informatics

The Materials Genome Initiative (MGI) creates a new era of materials innovation that will serve as a foundation for strengthening domestic industries in these

Statistical methods for MGI metrology

We are developing statistical methods to enable measurement science and metrology for MGI (project started in 2011).

Materials Data Curation System

Cloud of Reproducible Records

An important part of the NIST (National Institute of Science and Technology) MGI (Materials Genome Initiative) effort is to investigate infrastructure and tools

Statistical modeling of images of electronic materials

To develop components of electrical devices at the scale of a few atoms for supercomputer, communications and health care technologies, a quantitative

Semi-Automatic Curation

Automation for Atomistic Simulation

As part of NIST's response to the Materials Genome Initiative (MGI), this project addresses the need for automation for the assembly and distribution of

Assessment of Uncertainty in CALPHAD Descriptions

This project addresses the development of methods for uncertainty quantification for CALPHAD descriptions.

Materials Data Repository

The NIST Materials Data Repository is open to the research community interested in developing best practices in the management of materials data. We are

Transport Properties of Complex Particles and Polymers

Many computational programs exist that are being used by industry for predicting properties of polymer composites, but their general predictive power is limited

NIST/MML Center for Theoretical and Computational Materials Science

Facilitating the Development of Modular Data Models in Materials Science

The Materials Data Curation System has the potential to accelerate interoperable data exchange within materials science and engineering. This platform is

Advanced Composites Pilot for the Materials Genome Initiative

Structural and kinetic data for validation of organic photovoltaic thin film design and processing tools

Organic photovoltaics (OPV) represents the most challenging use case for soft matter ICME within the CHiMaD portfolio of use cases. Recent empirical advances in

ASM Structural Materials Data Demonstration Project

The ASM Structural Materials Data Demonstration Project SMDDP) is a cooperative research project with the NIST Materials Measurement Laboratory (MML) that is

High-Precision Structural Measurements

Atomic arrangements underpin the properties of all solids and, as such, are fundamentally important for materials development. The power of computational

Lattice constant for AI using various exchange-correlation functionals

DFT Benchmarking

DFT is a widely used computational technique in the material science community and it provides interpretative tools for understanding experimental results as

MGI Code Catalog

The MGI Code Catalog represents an extensive collection of information about software relevant to computational materials science and materials data analysis

Materials Design Toolkit

This framework provides the generic environment for materials design. The ICME (Integrating Computational Materials Engineering) approach is implemented for

Searching the ICSD for new functional materials from first principles

The Inorganic Crystal Structure Database (ICSD, SRD 3), maintained at NIST, contains over 100,000 crystal structures which are known to exist and could

Machine Learning for Materials Research: Bootcamps and Workshops

Over the last several years machine learning has gained increased attention in the material science community. The ability to perform high throughput in silico

Object Oriented Finite Elements (OOF)

OOF is a collaborative effort between the Information Technology Laboratory and the Material Measurement Laboratory at NIST. The intended audience of the OOF

JARVIS-FF

JARVIS-FF (Website: https://www.ctcms.nist.gov/~knc6/periodic.html ) is a repository of classical force-field/potential calculation data to help users to select

Computational Design of Photopolymerized Materials

The Biomaterials Group develops advanced measurement capabilities and measurement assurance strategies for characterizing biomaterials, biological systems, and

OpenCALPHAD

OpenCalphad (OC) is an informal international collaboration of scientists and researchers interested in the development of high quality software and databases

JARVIS-DFT

JARVIS-DFT (Website: https://www.ctcms.nist.gov/~knc6/JVASP.html ) is a materials property repository focused on density functional theory (DFT) predictions of

Modeling Photon Absorption in Composite Resin Systems

Control over spatial uniformity in a photopolymerized material is important for homogenous physical properties. Unintended spatial variations in polymeric

CHiMaD Phase Field Community

CHiMaD Phase Field Website Repository See the live website at pages.nist.gov/chimad-phase-field. In January 2015 a group of phase field