L. Talirz, L. M. Ghiringhelli, and B. Smit, Trends in Atomistic Simulation Software Usage [Article v1.0] Living J. Comp. Mol. Sci. 3 (1) (2021) doi: 10.33011/livecoms.3.1.1483
Abstract: Driven by the unprecedented computational power available to scientific research, the use of computers in solid-state physics, chemistry and materials science has been on a continuous rise. This review focuses on the software used for the simulation of matter at the atomic scale. We provide a comprehensive overview of major codes in the field, and analyze how citations to these codes in the academic literature have evolved since 2010. An interactive version of the underlying data set is available at https://atomistic.software.