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In a simplified version of the full end-to-end pipeline, we attempt to use MatterGen, recently released by Microsoft, to generate novel materials and test them for superconductivity. Paper and repo
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Visualizing predictions for a novel material in the Ba-Cu-F-Sr-O family, estimated to have at Tc of 113 K.
Simulating the material heating up to 300 K, we watch as the probability of the superconducting state gradually and steadily decreases, which makes it hard to choose an exact Tc.
Looking at a material (B2Mg0.95Zr0.05-MP-mp-763-synth_doped) with a higher Tc, we see that the model is still able to make good classifications near the true critical temperature.
While underestimating, Ba2Ca2Cu3Tl2O10-MP-mp-1228620 has a pretty decent phase change which relatively high certainties on both sizes of Tc.