Computational crystallography

Computational crystallography is a branch of science that uses computer algorithms and simulations to study the arrangement of atoms in crystals. Crystals have a regular, repeating structure, and understanding this helps researchers determine how materials behave and interact. By analyzing X-ray or electron diffraction data with sophisticated software, scientists can create detailed models of crystal structures. This information is crucial for fields like materials science, chemistry, and biology, as it aids in the design of new materials, drugs, and understanding fundamental processes in nature. Essentially, it's about using computers to unlock the mysteries of crystalline substances.