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Molecular Dynamics

Molecules and atoms move in computers. Force among molecules or atoms is necessary to calculate movement.
There are two kinds of force.

• Experiential method : Use experiential function as force.
• First Principle : Ideal method to calculate molecules and atoms because it uses quantum mechanism.

Because First Principle needs enormous calculation, we cannot try easily.

Especially in chemical phenomenon, the simulation needs order of Avogadro's number to approximate natural phenomenon. Using first principle is difficult.

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