The cover gives examples of several main functions of GALAMOST [graphics processing unit (GPU)-accelerated large-scale molecular simulation toolkit] by You-Liang Zhu et al. on page 2197. The bottom left illustrates a self-assembled structure of a Janus particle. The upper left describes the chain-growth polymerization model, taking the chain growth from the outer surface of a ball as an example. The lower right describes that, with a hybrid particle-field molecular dynamics technique (MD-SCF), dipalmitoylphosphatidylcholine (DPPC) molecules in water can form a micelle. The center and upper right illustrate that, using the numerical potential method, the polystyrene polymer can be described at coarse-grained level.