Molecular Dynamics (MD) simulation is a computational technique used to model the behavior of atoms and molecules over time by numerically solving Newton’s equations of motion. It provides insights into the structural, dynamic, and thermodynamic properties of materials at the atomic scale. In MD simulations, interatomic interactions are typically described using force fields, which define the potential energy of a system based on atomic positions. The technique is widely used in materials science, chemistry, and biophysics to study phase transitions, mechanical properties, diffusion, chemical reactions, and surface interactions. MD enables researchers to explore molecular-scale phenomena that are challenging to observe experimentally, making it a powerful tool for investigating metals, polymers, nanocomposites, and biological systems.
Molecular Dynamics (MD) simulation is a computational technique used to model the behavior of atoms and molecules over time by numerically solving Newton’s equations of motion. It provides insights into the structural, dynamic, and thermodynamic properties of materials at the atomic scale. In MD simulations, interatomic interactions are typically described using force fields, which define the potential energy of a system based on atomic positions. The technique is widely used in materials science, chemistry, and biophysics to study phase transitions, mechanical properties, diffusion, chemical reactions, and surface interactions. MD enables researchers to explore molecular-scale phenomena that are challenging to observe experimentally, making it a powerful tool for investigating metals, polymers, nanocomposites, and biological systems.