Abstract
We improve the classical molecular dynamics (MD) method by a J-walking microcanonical Monte Carlo (MC) scheme to overcome broken ergodicity. This MC method rigorously samples the MD ensemble at finite energy and angular momentum. It is illustrated on the nonlinear dynamics of a 13-atom Lennard–Jones cluster.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
