Introducing GPU Acceleration into the Python-Based Simulations of Chemistry Framework - Li, Rui; Sun, Qiming; Zhang, Xing; Chan, Garnet Kin-Lic (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2025)
Keywords: A: New Tools and Methods in Experiment and Theory; Algorithms; Basis sets; Circuits; Energy; Genetics