CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical catalysts based on the specific chemical reactions in which they are used. The ...

The world is awash with news about artificial intelligence tools, including those intended to help chemists. But are the tools useful, a threat, or even worth the attention? It’s hard to know, ...

Just like an astronomer investigates outer space, a chemist explores chemical space—a theoretical territory with all possible known (and unknown) chemical compounds. Researchers estimate chemical ...

Researchers have used computer models on the Stampede2 supercomputer to replicate the dispersal of gases from the April 4, 2017 chemical weapons attack in northwest Syria. The simulations were able to ...

Resting on hundreds of years of incredible accomplishments, leaders in the chemical industry are confronting their biggest challenge in decades: How to reinvent age-old business models for an entirely ...

Researchers from the University of Bonn have trained an AI process to predict potential active ingredients with special properties. Therefore, they derived a chemical language model – a kind of ...

Soil liquefaction—the process where saturated soil loses its structure and transforms to a fluid-like state—can have devastating outcomes, as evidenced by the Great East Japan Earthquake in 2011.

Troubleshooting expertise was also observed in these large language models as they were more helpful in surpassing roadblocks ...

In my career as a chemist, I owe a huge debt to serendipity. In 2012 I was in the right place (IBM’s Almaden research laboratory in California) at the right time—and I did the “wrong” thing. I was ...