Hybrid atomistic simulation methods for materials systems
N. Bernstein, J. R. Kermode and G. Csanyi
Reports on Progress in Physics, 72, 026501 (2009).

ABSTRACT
We review recent progress in the methodology of hybrid quantum/classical (QM/MM)
atomistic simulations for solid-state systems, from the earliest reports in 1993
up to the latest results. A unified terminology is defined into which the
various and disparate schemes fit, based on whether the information from the QM
and MM calculations is combined at the level of energies or forces. We discuss
the pertinent issues for achieving 'seamless' coupling, the advantages and
disadvantages of the proposed schemes and summarize the applications and
scientific results that have been obtained to date.