In principle, artificial intelligence could make finding the right material for an application as simple as ordering dinner: Scientists would tell a large language model what they want, and it would serve them the perfect material for the job.Unfortunately, that approach doesn’t work well yet, and the problem comes down to data: Most materials consist of 3D arrangements of crystals, not the text streams that today’s large language models are trained on. The experimental literature is also heavily biased toward a few popular classes of crystals, making AI outputs skew…
