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 ...

Called a landmark discovery, scientists create a molecule with an unprecedented electronic pattern that revolutionizes ...

Electronic structure as a research area focuses on the quantum-mechanical description of electrons in atoms, molecules, solids, and nanostructures, and on how this governs their structural, ...

The early 20 th century saw the advent of quantum mechanics to describe the properties of small particles, such as electrons or atoms. Schrödinger’s equation in quantum mechanics can successfully ...