Scale Bridging in Molecular Simulation

Abstract

Multiscale and multiphysics approaches have become an integral part of the molecular modeling and simulation toolbox and are used to attack various real-world problems that would be out of reach without these techniques. This special topics issue is devoted to a critical appraisal of some of the most popular scale bridging techniques for molecular simulation. It features regular articles and a “Discussion and Debate” section, in which experts in the field discuss specific articles and general aspects of scale bridging techniques.