Yuya Nakajima - Publications, H-index & Citations

Yuya Nakajima

ENEOS Corporation

4H指数

13论文数

68被引数

收录论文 5

发表时间

Large-Scale Calculations by Integrating the Fragmentation Approach With Neural Network Potentials 通过结合碎片化方法和神经网络势能的大规模计算

Journal of Computational Chemistry

IF4.8

2025-07-24

PREAI

Rei Oshima; Mikito Fujinami; Yuya Nakajima; Hiromi Nakai

Using atomic clustering based on structural and electronic descriptors that consider surrounding environment to evaluate local properties of DFT functionals

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-04-30

PREAI

Nakajima, Yuya; Ohmura, Takuto; Seino, Junji

RAQET: Large-scale two-component relativistic quantum chemistry program package RAQET: 大型双组分相对论量子化学程序包

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2018-09-20

OAAI

Hayami, Masao; Seino, Junji; Nakajima, Yuya; Nakano, Masahiko; Ikabata, Yasuhiro; Yoshikawa, Takeshi; Oyama, Takuro; Hiraga, Kenta; Hirata, So; Nakai, Hiromi

Implementation of Analytical Energy Gradient of Spin-Dependent General Hartree-Fock Method Based on the Infinite-Order Douglas-Kroll-Hess Relativistic Hamiltonian with Local Unitary Transformation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-04-21

PREAI

Nakajima, Yuya; Seino, Junji; Nakai, Hiromi

Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-12-27

PREAI

Nakajima, Yuya; Seino, Junji; Nakai, Hiromi

研究方向