Analysis of XPS and XES of diamond and graphite by DFT calculations using model molecules. - Kazunaka Endo; Seiji Koizumi; Takao Otsuka; M. Suhara; T. Morohasi; E. Z. Kurmaev; Delano P. Chong (J. Comput. Chem., 2001)

Theoretical auger electron spectra of polymers by density functional theory calculations using model dimers. - Takao Otsuka; Seiji Koizumi; Kazunaka Endo; Hiroyuki Kawabe; Delano P. Chong (J. Comput. Chem., 2002)

Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals. - Yutaka Imamura; Takao Otsuka; Hiromi Nakai (J. Comput. Chem., 2007)

Wavelet transform analysis of ab initio molecular dynamics simulation: Application to core-excitation dynamics of BF3. - Takao Otsuka; Hiromi Nakai (J. Comput. Chem., 2007)

Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method. - Takao Otsuka; Noriaki Okimoto; Makoto Taiji (J. Comput. Chem., 2015)

Introduction of Prototype of Remote Type Automated Vehicle System by using Communication between Operator and Vehicles in Real Environment. - Naohisa Hashimoto; Simon Thompson 002; Yusuke Takinami; Kazuhisa Mizushima; Takao Otsuka; Manabu Omae; Shin Kato (ITST, 2018)

kMoL: an open-source machine and federated learning library for drug discovery. - Romeo Cozac; Haris Hasic; Jun Jin Choong; Vincent Richard; Loic Beheshti; Cyrille Froehlich; Takuto Koyama; Shigeyuki Matsumoto; Ryosuke Kojima; Hiroaki Iwata; Aki Hasegawa; Takao Otsuka; et al. (J. Cheminformatics, 2025)