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Modeling & computational material science

News and Updates

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

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

RMCPROFILE

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

NANOP

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