The diagram illustrates the interplay among data acquisition, machine learning, and experiment synthesis. Physical models such as thermodynamics and kinetics can be integrated into ML models as expert ...

Electro- and photocatalytic materials are central to enabling sustainable energy conversion processes such as water splitting, CO2 reduction, oxygen ...

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.

Retrosynthesis or retrosynthetic analysis (RA) is a strategic organic chemistry approach that scientists use to construct target molecules from easy-to-make or readily available precursors. 2 ...

Oak Ridge National Laboratory researchers are pioneering the design and synthesis of quantum materials, which are central to ...