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 ...

Interatomic Potentials and modelling as a tool in materials science – Prof Sir Richard Catlow, Dept. of Chemistry, UCL; School of Chemistry, Cardiff University; UK Catalysis Hub, Research Complex at ...

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, ...

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 ...