mathematical algorithms

How Are Algorithms Used in Nano-simulation?

Nano-simulation leverages mathematical algorithms to predict the behavior of nanomaterials under various conditions. Techniques like Molecular Dynamics (MD) simulations and Quantum Mechanics/Molecular Mechanics (QM/MM) hybrid methods are commonly used. These simulations require algorithms to calculate forces, energies, and trajectories of particles at the atomic scale, providing insights that are otherwise difficult to obtain experimentally.

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