Synthesis reaction of Calcium superhydride under high pressure reproduced by the machine learning model. Here, the surface of calcium hydride (CaH 2) melts to absorb hydrogen molecules, then ordered ...

In March, a paper in the Journal of the American Chemical Society sparked a heated Twitter debate on the value of machine learning for predicting optimal reaction pathways in synthetic chemistry. The ...

DeepMind has shared the discovery of 2.2 million new crystals – equivalent to nearly 800 years’ worth of knowledge. They introduce Graph Networks for Materials Exploration (GNoME), a new deep learning ...

Chinese researchers have developed a photocatalytic membrane reactor that dramatically improves the synthesis of imines—a ...

A new chemical reaction method is only as valuable as the chemistry it makes possible. So a paper that describes a new reaction will almost always include a table of compounds that researchers tested ...

With artificial intelligence, scientists can design increasingly complex small molecule structures. Automation is critical for transforming these compounds from designs on a screen into actual ...

Scientists and institutions dedicate more resources each year to the discovery of novel materials to fuel the world. As natural resources diminish and the demand for higher value and advanced ...

Inspired by what human liver enzymes can do, chemists have developed a new set of copper-catalyzed organic synthesis reactions for building and modifying pharmaceuticals and other molecules. The new ...

Electrochemical reactions for synthesis of organic compounds would find wider applications if they were independent of power supply. Now, researchers have exploited the flow of electrolytes in an ...

Highly reactive organometallic reagents, like organolithiums (molecules with a carbon–lithium bond) are essential reagents in organic synthesis because of their applications from polymer synthesis to ...