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

If life exists on Saturn's moon Enceladus of Jupiter's moon Europa, these scientists are on the trail. When you purchase through links on our site, we may earn an affiliate commission. Here’s how it ...

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 ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

The 2024 Nobel Prize in Chemistry is for computational protein design and structure prediction. David Baker, Demis Hassabis and John M. Jumper took home the prize for their work using artificial ...

Researchers from Imperial and its spinout company SOLVE Chemistry have presented a chemical dataset at the prestigious AI conference NeurIPS that could help accelerate the use of machine learning to ...

Chemist Jixin Chen looked at the rapid spread of COVID-19 early in the pandemic and saw a novel opportunity for his kinetics lab, where they study the rates of reactions. Chemist Jixin Chen looked at ...