2. Method
2.1 Equations of motion
Classical molecular dynamics (MD) is based on Newtonian mechanics: the properties of a set of atoms or particles are determined by studying the trajectory of each particle over time. To do this, the laws of classical mechanics are applied to atoms, which are assimilated to a point mass. For all atoms i in a system, the classical equations of motion are solved simultaneously:
where
Exclusive to subscribers. 97% yet to be discovered!
Already subscribed? Log in!
Method
Examples of molecular dynamics applications
Article included in this offer
"Physics and chemistry"
(
203 articles
)
Updated and enriched with articles validated by our scientific committees
A set of exclusive tools to complement the resources
Bibliography
Exclusive to subscribers. 97% yet to be discovered!
Already subscribed? Log in!
