A new computational method extracts electronic band structures from finite, imperfect, and curved nanomaterials, linking nano ...

Back in the old days—the really old days—the task of designing materials was laborious. Investigators, over the course of 1,000-plus years, tried to make gold by combining things like lead, mercury, ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...

An international collaborative research group has developed a new computational method to visualize the electronic states of ...