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Materials

Modeling & computational material science

News and Updates

An illustration for AI shows a silhouette of a human head containing icons for computer networks.

NIST AI System Discovers New Material

When the words “artificial intelligence” (AI) come to mind, your first thoughts may be of super-smart computers, or robots that perform tasks without needing

Projects and Programs

Polymer Analytics

Ongoing
The Polymer Analytics project was established with the goal of accelerating the discovery of new polymer physics through the development of datasets, methods
JARVIS-ML overview

JARVIS-ML

Ongoing
JARVIS-ML is a repository of machine learning (ML) model parameters, descriptors, and ML related input and target data. JARVIS-ML is a part of the NIST-JARVIS

Publications

Software

NANOP

This software package implements functions to simulate spherical, ellipsoid and cubic polyatomic nanoparticles with arbitrary crystal structures and to

RMCPROFILE

RMCProfile is a free software package (developed as a collaborative effort between scientists at several institutions including NIST), that can fit