9. Glossary
Force field; forcefield
Series of equations and empirical parameters designed to account for interactions between atoms, molecules and particles.
Mécanique moléculaire; molecular mechanics
Using a force field to calculate energy.
Dynamique moléculaire; molecular dynamics
Integration of the equations of motion to animate atoms, or particles; the result of molecular dynamics is a trajectory, a sequence of configurations.
Configuration; configuration
Defined as a point in phase space {r, p}.
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Bibliography
- (1) - - https://www.nobelprize.org/nobel_prizes/chemistry/laureates/2013/ .
- (2) - JENSEN (F.) - Introduction to...
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