Manipulated fixed match prediction with heart

Manipulated fixed match prediction with heart
of copper (.

Miller index (001) surface ).

Each circle represents the position of one atom.

The kinetic energy of the atom approaching from the top is redistributed among the other atoms, so instead of bouncing off it remains attached due to attractive forces between the atoms.

Molecular dynamics simulations are often used to study biophysical systems.

Depicted here is a 100 ps simulation of water.

A simplified description of the standard molecular dynamics simulation algorithm, when a predictor-corrector-type integrator is used.

The forces may come either from classical interatomic potentials (described mathematically as FV(r)displaystyle F-nabla V(vec r) ) or quantum mechanical (described mathematically as FF(r)displaystyle FF(Psi (vec r) ) methods.
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