nguyen-group/GNNOpt
Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
This tool helps materials scientists and physicists quickly predict optical properties of new materials without needing complex simulations or experiments. You provide a crystal structure as input, and it outputs predictions for various optical spectra like absorption coefficients, refractive indices, or reflectance. This is ideal for researchers designing new materials or exploring their optical behavior.
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Use this if you need to rapidly estimate the optical properties of a material directly from its crystal structure.
Not ideal if you require a high degree of experimental precision or need to simulate complex optical phenomena beyond direct spectral prediction.
Stars
33
Forks
8
Language
Jupyter Notebook
License
MIT
Category
Last pushed
Dec 19, 2024
Commits (30d)
0
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