de Broglie Swapping Metadynamics for Quantum and Classical Sampling.


This paper builds on our previous work on Path Integral Metadynamics [ Ruge et al. J. Chem. Theory Comput. 2015 , 11 , 1383 ] in which we have accelerated sampling in quantum systems described by Feynman's Path Integrals using Metadynamics. We extend the scope of Path Integral Metadynamics by combining it with a replica exchange scheme in which artificially… (More)
DOI: 10.1021/acs.jctc.5b00818