AI helps design new materials that work in the real world

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Today, anyone with a large enough artificial intelligence model can generate millions of new material designs in minutes. Unfortunately, that hasn’t led to a huge leap in the number of new materials being used to improve the performance of products like computer chips and rockets.

One reason for the translation gap is that current models don’t reliably factor in the chemical stability of the materials they generate, and unstable materials aren’t very useful in the real world. That forces industries to allocate huge computational budgets to screening out all the unstable materials they generate, in some cases leaving behind a tiny fraction of usable options.

Now, MIT researchers have developed a framework that can be applied at the beginning of the materials generation process to vastly improve the stability rate while achieving targeted material properties. It works by ensuring every design satisfies certain key rules of chemistry relating to the...

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