A research team affiliated with UNIST has reported a new simulation tool to better understand how liquid-phase chemical ...

Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new ...

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 ...

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, ...

Abstract Chemical warfare agents (CWAs) are highly toxic and environmentally persistent, posing human health risks. For example, Venomous Agent X (VX ...

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 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 ...

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 ...

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 ...