US researchers develop AI system that could speed up discovery of new materials

Representation pic/iStock

US Department of Energy (DOE) researchers have successfully demonstrated an Artificial Intelligence (AI)-driven system to automate a powerful simulation method that predicts how atoms in materials interact.

Called atomistic simulations, this method can potentially accelerate discovery of materials for areas such as batteries, aerospace and electronics.

A human user enters a high-level prompt, which can be a brief instruction like, "calculate the melting point of a gold-copper alloy". In as little as a few minutes, a detailed and highly accurate answer is provided.

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