The AI agent, incorporating a language model-based molecular generator and a graph neural network-based molecular property predictor, processes a set of user-provided molecules (green) and ...

Opinions expressed by Digital Journal contributors are their own. Minghao Liu’s career is a testament to the power of computational science in solving complex, real-world problems. Beginning with his ...

In a sense, it sounds like that’s another facet of computational thinking that’s more relevant in the age of AI—the abstractions of statistics and probability in addition to algorithms and data ...

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

Bruce G. Buchanan Department of Computer Science University of Pittsburgh Pittsburgh, Pa. " The state of the art of artificial intelligence is changing rapidly. In a recent article, one of the leading ...

Using computational tools, researchers have developed a method to assess which patients with metastatic triple-negative breast cancer could benefit from immunotherapy. Using computational tools, ...

It was a Friday, but the fourth-grade students of Prairieview Elementary School in Downers Grove, Illinois all sat attentively as they listened to a speaker from the U.S. Department of Energy's (DOE) ...

Using cutting-edge computational methods and supercomputing infrastructure, researchers have built the largest and most detailed bird family tree to date -- an intricate chart delineating 93 million ...

Scientists have used computational tools, including machine learning, to differentiate between subtypes of rheumatoid arthritis. In this study, which was reported in Nature Communications, the ...

" Diagnosis in medicine has been a testbed for developing ideas about troubleshooting in .engineering disciplines. A recently published paper addresses a fundamental problem of defining the variety of ...