Molecular Dynamics
Molecular Dynamics (MD) is a computational simulation technique used to model the physical movements of atoms and molecules over time, based on classical mechanics principles like Newton's laws of motion. It calculates forces between particles using potential energy functions (force fields) and integrates equations of motion to predict trajectories, enabling the study of dynamic processes such as protein folding, material behavior, and chemical reactions at atomic resolution.
Developers should learn Molecular Dynamics when working in fields like computational chemistry, biophysics, materials science, or drug discovery, as it allows for simulating complex molecular systems that are difficult to study experimentally. It is used for predicting molecular interactions, optimizing materials, and understanding biological mechanisms, making it essential for research and development in pharmaceuticals, nanotechnology, and energy applications.