lennard jones potential

How is it Used in Molecular Dynamics Simulations?

Molecular dynamics simulations are a cornerstone method in nanotechnology research. The Lennard-Jones potential is often used to simulate the behavior of atoms and molecules over time. By solving Newton's equations of motion for a system of particles interacting via the Lennard-Jones potential, researchers can predict thermodynamic properties, phase transitions, and other phenomena at the nanoscale.

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