VASP

VASP (Vienna Ab initio Simulation Package) is a computational software used by scientists to model and understand the behavior of materials at the atomic level. It helps predict how atoms in a substance arrange themselves and interact, which influences properties like strength, conductivity, and reactivity. Using principles from quantum mechanics, VASP performs complex calculations to simulate materials without needing physical experiments. This allows researchers to explore new materials, optimize existing ones, and understand fundamental physical phenomena efficiently, facilitating advancements in fields like electronics, energy, and nanotechnology.