The annual Congress of the Boltzmann Zuse Society for Computational Molecular Engineering in Kaiserslautern took place from 27th to 28th October 2016. The participants for example came from Kaiserlautern (LTD), Munich (SCCS), Paderborn (ThEt) and Stuttgart (HLRS), and presented latest findings and developments within the field of molecular simulation. Furthermore, they exchanged intensively about running projects and mutual future projects. The progression of the simulation codes ms2 and ls1 constituted a central topic of discussion.