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 ...

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, ...

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.

Researchers present a new generative AI model that can simultaneously design catalyst structures and predict their performance under specific reaction conditions. CatDRX is a generative AI framework ...

In this article, we will cover the best free Molecular Modeling software for Windows 11/10 PC. Using these freeware, you can create models of various simple to complex chemical compounds. This ...

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 ...