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 ...

Everything around us is made of molecules. Molecules are in constant motion, and when they collide just right, chemical reactions can occur! Chemical reactions can happen fast or slow, and the ...

Penn State researchers have uncovered a surprising twist in a foundational chemical reaction known as oxidative addition. Typically believed to involve transition metals donating electrons to organic ...

Understanding what complex chemical measurements reveal about materials and reactions can take weeks or months of analysis. But now, an AI-powered platform developed by researchers at the Department ...

The reaction generates amino acids and nucleic acids, the building blocks of proteins and DNA. Four billion years ago, the Earth looked very different than it does today, devoid of life and covered by ...

Speeding up chemical reactions is key to improving industrial processes or mitigating unwanted or harmful waste. Realizing these improvements requires that chemists design around documented reaction ...

The continual growth of bioorthogonal chemical reactions in the past decade has offered an unprecedented opportunity for the study and manipulation of biological processes within living systems 1,2,3.

In the past few years, researchers have turned increasingly to data science techniques to aid problem-solving in organic synthesis. The software adapts key principles of Bayesian Optimization (BO) to ...