UNO DMRG CAS CI calculations of binuclear manganese complex Mn(IV)2O2(NHCHCO2)4: Scope and applicability of Heisenberg model. - Takashi Kawakami; Koichi Miyagawa; Sandeep Sharma; Toru Saito; Mitsuo Shoji; Satoru Yamada; Shusuke Yamanaka; Mitsutaka Okumura; Takahito Nakajima; Kizashi Yamaguchi (J. Comput. Chem., 2019)

A machine learning potential construction based on radial distribution function sampling. - Natsuki Watanabe; Yuta Hori; Hiroki Sugisawa; Tomonori Ida; Mitsuo Shoji; Yasuteru Shigeta (J. Comput. Chem., 2024)