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 ...

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.

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 ...

Researchers from the University of Chinese Academy of Sciences and collaborating institutions have developed a novel ...

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 ...

Researchers say the new computational model can “simulate and predict” human behavior in any domain, something they claim will help fast-track new scientific discoveries. A team of researchers from ...

Theory and understanding underpin a great deal of experimentation and engineering. Working together experimentalists can be guided by theoretical predictions and theoreticians can refine their models ...

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 ...

A new computational model of the brain based closely on its biology and physiology has not only learned a simple visual ...