DFT (Density Functional Theory)

Density Functional Theory (DFT) is a computational method used in physics and chemistry to study the properties of many-body systems, particularly atoms, molecules, and solids. Instead of calculating the complex interactions between every individual particle, DFT simplifies the problem by focusing on the electron density—how electrons are distributed in space. By using this density, DFT helps predict important properties like energy, structure, and reactivity of materials, making it a powerful tool for researchers in material science, nanotechnology, and chemistry to design new substances and understand their behavior.