“We use density functional theory to estimate formation enthalpy ... if that energy is higher than other materials ... it's unlikely that this material will be able to be made”
Latent Space: The AI Engineer Podcast · Synthesis Superintelligence: from Semiconductors to Superconductors - Periodic Labs’ Liam Fedus and Ekin Dogus Cubuk
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30:18
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What was described
use density functional theory (DFT) to compute formation enthalpy of candidate materials and filter out those that are thermodynamically unstable
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