Methods category listing 2 | Beckstein Lab

. . . . .
Archive | Methods RSS feed for this category
Molecular dynamics simulations

Molecular dynamics simulations

Molecular dynamics (MD) is a computational method to compute the trajectories of a large number of particles that interact with each other. Classical MD approximates interactions between atoms by classical forces but fully quantum mechanical MD has also been carried out. Experimental observables are calculated from trajectories using statistical mechanics.

Comment Continue Reading →