Finding and developing new molecules is one of the great research endeavors of modern chemistry. From the development of new ...

For R&D leaders evaluating AI investments, I’d offer one piece of advice: Before spending more on models, look hard at your ...

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Researchers have introduced ChemGraph, an AI-powered agentic framework that automates and streamlines computational chemistry and materials science workflows. Combining graph neural networks for ...

Rapid advances in applying artificial intelligence to simulations in physics and chemistry have some people questioning whether we will even need quantum computers at all. Tech companies have been ...