This four-volume set (CCIS 643, 644, 645, 646) constitutes the refereed proceedings of the 16th Asia Simulation Conference and the First Autumn Simulation Multi-Conference, AsiaSim / SCS AutumnSim 2016, held in Beijing, China, in October 2016. The 265 revised full papers presented were carefully reviewed and selected from 651 submissions. The papers in this first volume of the set are organized in topical sections on modeling and simulation theory and methodology; model engineering for system of systems; high performance computing and simulation; modeling and simulation for smart city.