For more than half a century, materials scientists have struggled with how to simulate the complexity of polymer materials.

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack of a ...

Join our daily and weekly newsletters for the latest updates and exclusive content on industry-leading AI coverage. Learn More There’s big data, then there is really big data, where there can be ...

Using the second-nearest neighboring atoms to predict metallic glass stability can help researchers more accurately model the disordered solid with strong, elastic properties, according to a recent ...

For more than a decade, a fundamental mystery has surrounded graphene—the one-atom-thick “wonder material” known for its ...