Ab lnitio Simulations and Materials Chemistry in the Age of Big Data

Journal of Chemical Information and Modeling v. 60, n. 2, p. 452-459, 2020 4.549 10.1021/acs.jcim.9b00781 Schleder, G. R. ; Padilha, A. C. M.; Rocha, A. R.; Dalpian, G. M.; Fazzio, A. 2020