Description of Langevin Dynamics

Langevin dynamics (LD) is similar to molecular dynamics (MD) simulations except the LD simulations apply frictional forces to the atoms. In self-guided Langevin dynamics (SGLD), there is also a guiding force, which is a momentum-derived force that pushes atoms. Because of this factor, more conformations will be sampled in a given interval and thus it should only be used if the timescale is not an issue.