Developing a high-performance quantum chemistry program with a dynamic scripting language. - Tomomi Shimazaki; Masatomo Hashimoto; Toshiyuki Maeda (SE-HPCCSE@SC, 2015)

PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry. - Maho Nakata; Tomomi Shimazaki (J. Chem. Inf. Model., 2017)

PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties. - Maho Nakata; Tomomi Shimazaki; Masatomo Hashimoto; Toshiyuki Maeda (J. Chem. Inf. Model., 2020)