Northwestern Engineering researchers have developed a new framework using machine learning that improves the accuracy of interatomic potentials — the guiding rules describing how atoms interact — in ...

Harvard researchers bring the accuracy, sample efficiency, and robustness of deep equivariant neural networks to the simulate 44 million atoms. This is achieved through a combination of innovative ...

The global market for 2D materials — already estimated at several billion dollars annually — is growing at a 4 percent rate. This is explained by the importance of these newly synthesized materials, ...