image: Researchers from MIT and the MIT-Watson AI Lab have developed a unified framework that uses machine learning to simultaneously predict molecular properties and generate new molecules using only ...

Crystals reveal the hidden geometry of molecules to the naked eye. Scientists use crystals to figure out the atomic structure of new materials, but many materials can't be grown large enough. Now, a ...

From the locked geometry of cis-trans isomers to the invisible tug-of-war of molecular polarity, chemistry’s building blocks determine how substances behave. These structural differences influence ...

From classrooms to cutting-edge labs, 3D molecular visualization is transforming how we understand chemistry. Digital tools, physical models, and quantum-informed simulations are making the invisible ...

A new framework uses machine learning to simultaneously predict molecular properties and generate new molecules using only a small amount of data for training ...