Quantum ESPRESSO

Quantum ESPRESSO is an open-source software package used by scientists to study the electronic structure of materials at the atomic level. It helps researchers understand how atoms and electrons behave in solids, liquids, and other materials by performing complex quantum mechanical simulations. This information is essential for designing new materials, such as semiconductors, catalysts, and superconductors, by predicting their properties before experimental testing. Essentially, Quantum ESPRESSO acts as a powerful computational microscope, allowing scientists to explore and manipulate materials at the fundamental quantum level to innovate and improve technologies.