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Projects/Programs

Displaying 1 - 21 of 21

DFT Repositories and Informatics

Ongoing
Reproducibility and reuse play fundamental roles in the development of science. With the growth of computational power and tools, simulated experiments have

JARVIS-ALIGNN, JARVIS-ALIGNN-FF

Ongoing
Our Atomistic Line Graph Neural Network (ALIGNN) models are designed to predict atomistic properties with high accuracy. They can successfully predict single

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

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