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

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 ...

Computational chemistry and molecular modeling form the backbone of modern theoretical and applied chemical science. These fields utilise advanced quantum mechanical methods and simulation techniques ...

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

Mathematicians have developed a new mathematical model which could greatly increase the efficiency of pest control and hence significantly reduce the impact of pests on crops whilst minimizing the ...

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 ...

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.

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 ...

Humans and most other animals are known to be strongly driven by expected rewards or adverse consequences. The process of ...

They were designed with its Noyron Large Computational Engineering Model and 3D printed with a high-temperature copper alloy.