algorithm selection

What are the Types of Algorithms Commonly Used?

Several types of algorithms are prevalent in nanotechnology:
Molecular Dynamics (MD): Used for simulating the physical movements of atoms and molecules.
Density Functional Theory (DFT): Employed for quantum mechanical modeling of the electronic structure of molecules.
Machine Learning (ML): Applied for predictive modeling and pattern recognition in large datasets.
Monte Carlo Methods: Utilized for statistical sampling to solve physical and mathematical problems.

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