Open research towards the discovery of room-temperature superconductors.
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So far a really interesting paper. Published in 2018. Adding some informal notes and interesting findings here. Finding out how much literature is based on this study.
A 9pm meeting with someone solely focused on money printing got the wheels turning about potential next build avenues as we work towards a room temperature superconductor.Bryan (the scout) was actuall
M3GNet seems like a pretty popular MLIP model. Depending on the pipeline we build out, we may want to increase throughput with a model that can help us with MD and electronics predictions.
This is a continued deep-dive into the latent space generated by the Orb model prior to it's MLFF tasks. I have been attempting to train a model on Tc prediction using this latent space as a feature vector. More on that here:
After reading the MatterSim paper, the authors proposed the idea of using the MLFF's latent space as a direct property prediction feature set. Earlier, and I had been thinking about using a VAE (or s
In the post, I'll be focusing purely on what we can learn from the latent space and see what sort of patterns emerge related to Tc, material composition and class, structure, etc.
We can visualize the latent space with dimensionality reduction using UMAP and t-SNE. Try this interactive Plotly visualization!
Using the 256 dimensional latent space output from the Orb model, we visualize the 3DSC(MP) dataset using t-SNE and UMAP. The UMAP projection has been given the target for learning a manifold that keeps similar Tc materials close together.
Make sure to bring the visualization into fullscreen with the expand button at the top right of the visualization. There are two, side-by-side, visualizations here.
Another version of the visualization with better point labeling:
Using the 256 dimensional latent space output from the Orb model, we visualize the 3DSC(MP) dataset using UMAP with direction from Tc labels. Hover a point to see Tc, formula, and Material Project identifier.
We can see that clusters of similar Tc often relates to materials of the same class, e.g. like cuprates, BaCu families, and other chemical systems.