CAMBRIDGE, MA — Researchers from MIT and the University of Michigan have discovered a new way to drive chemical reactions that could generate a wide variety of compounds with desirable pharmaceutical ...

Computational models and simulations have had an important role in engineering analysis since as far back as the 1960s. It is widely recognized that the use of modeling and simulation tools can make ...

The National Academies will convene a committee to organize a workshop on navigating the benefits and biosecurity risks of communicating studies involving the use of computational modeling and ...

Foundation models are AI systems trained on vast amounts of data — often trillions of individual data points — and they are capable of learning new ways of modeling information and performing a range ...

Researchers in the Nanoscience Center at the University of Jyväskylä, Finland, have developed a pioneering computational ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, ...

Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...

University of Nevada professor Michael Wilson explains three computational linguistics fields and the applications of those ...

Researchers have discovered a new way to drive chemical reactions that could generate a wide variety of azetidines -- four-membered nitrogen heterocycles that have desirable pharmaceutical properties.