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 ...

The representation of individual memories in a recurrent neural network can be efficiently differentiated using chaotic recurrent dynamics.

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 ...

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

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 ...

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 ...

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 ...

The use of computational methods and tools to deepen our understanding of long-standing questions in the social sciences has been rapidly growing in recent years. This Collection includes manuscripts ...