Machine learning is transforming many scientific fields, including computational materials science. For about two decades, ...

A new article proposes a simple and effective hybrid generative model that can predict unseen domain boundaries in synthesized materials with limited observations, without the need for expensive ...

Computer simulations and artificial intelligence often make significant errors when predicting the properties of new, ...

(a) A feasible route for developing large materials models capable of describing the structure-property relationship of materials. The universal materials model of DeepH accepts an arbitrary material ...

A novel computational method created at the University of Chicago aims to illuminate some of the most enigmatic materials ...

Not every experiment leads to a breakthrough. For every headline-making innovation, there are countless smaller steps that quietly map the limits of what is possible. Every “aha” is preceded by a ...