Molecular Dynamics Simulations
Molecular Dynamics Simulations is a computational technique used to study the behavior of atoms and molecules over time. It involves solving the classical equations of motion for a system of interacting particles, typically using numerical integration methods. The simulations can provide information on the thermodynamic and kinetic properties of the system, such as temperature, pressure, energy, and diffusion coefficients. Molecular Dynamics Simulations are widely used in materials science, chemistry, and biophysics to study the behavior of complex systems, such as proteins, nucleic acids, and membranes, at the atomic level. They can also be used to design and optimize new materials and drugs.
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