title: Multiscale molecular modeling.
abstract: We review the basic theoretical principles of the adaptive resolution simulation scheme (AdResS). This method allows to change molecular resolution on-the-fly during a simulation by changing the number of degrees of freedom in specific regions of space where the required resolution is higher than in the rest of the system. We also report about recent extensions of the method to the continuum and quantum regimes.
authors.affiliation: National Institute of Chemistry, Ljubljana, Slovenia. praprot@cmm.ki.si
authors.forename: Matej
authors.initials: M
authors.lastname: Praprotnik
authors.forename: Luigi
authors.initials: L
authors.lastname: Delle Site
mesh_terms: D006358:Hot Temperature; D008958:Models, Molecular; D011789:Quantum Theory