Drug discovery is like molecular Tetris. Chemists snap atoms together, adjusting the pieces until everything fits, and ...

Drug discovery is like molecular Tetris. Chemists snap atoms together, adjusting the pieces until everything fits and suddenly, a molecule makes a promising new medicine. Normally, creating better ...

Within the STRUCTURES Cluster of Excellence, two research teams at the Interdisciplinary Center for Scientific Computing (IWR) have refined a computing process, long held to be unreliable, such that ...

A new computational approach reveals how subtle structural changes in polyheptazine imides can dramatically influence their ability to convert sunlight into chemical energy. Photocatalysis offers a ...

Flame retardants, plasticizers, and "forever" chemicals are common in household items like cookware and cosmetics. But these ...

Gabriel Gomes believes the future of chemistry is as much about flasks and fume hoods as it is about code. A chemical engineer at Carnegie Mellon University, Gomes works at the intersection of ...

Among the hundreds of thousands of chemical compounds produced by plants, some may hold the key to treating human ailments and diseases. But recreating these complex, naturally occurring molecules in ...

Chemical companies are beginning to adopt agentic artificial intelligence. Agentic AI is more autonomous than other forms of AI. Chemical industry experts say current agentic AI forms can’t yet ...

It’s a common enough scenario in many synthesis labs: you know what starting material you have, and you know what product you need but not quite what reaction conditions will get you there. Unless you ...