Acceleration of Environmental Electrostatic Potential Using Cholesky Decomposition with Adaptive Metric (CDAM) for Fragment Molecular Orbital (FMO) Method-Reference-Cited by-同舟云学术

Acceleration of Environmental Electrostatic Potential Using Cholesky Decomposition with Adaptive Metric (CDAM) for Fragment Molecular Orbital (FMO) Method

Published:2021-01-15 Issue:1 Volume:94 Page:91-96
ISSN:0009-2673
Container-title:Bulletin of the Chemical Society of Japan
language:en
Short-container-title:BCSJ

Author:

Okiyama Yoshio¹,Nakano Tatsuya¹,Watanabe Chiduru²,Fukuzawa Kaori³,Komeiji Yuto⁴,Segawa Katsunori¹,Mochizuki Yuji²⁵

Affiliation:

1. National Institute of Health Sciences, 3-25-26 Tonomachi, Kawasaki-ku, Kawasaki, Kanagawa 210-9501, Japan

2. Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan

3. Hoshi University, 2-4-41 Ebara, Shinagawa-ku, Tokyo 142-8501, Japan

4. National Institute of Advanced Industrial Science and Technology, AIST, Tsukuba Central 6, Tsukuba, Ibaraki 305-8566, Japan

5. Rikkyo University, 3-34-1 Nishi-ikebukuro, Toshima-ku, Tokyo 171-8501, Japan

Publisher

The Chemical Society of Japan

Subject

General Chemistry

Link

http://www.journal.csj.jp/doi/pdf/10.1246/bcsj.20200227

Reference45 articles.

1. Fragment molecular orbital method: an approximate computational method for large molecules

2. E. B. Starikov, J. P. Lewis, S. Tanaka, Modern Methods for Theoretical Physical Chemistry of Biopolymers; Elsevier, Amsterdam, 2006.

3. Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method

4. D. G. Fedorov, K. Kitaura, The Fragment Molecular Orbital Method; CRC Press, Boca Raton, 2009.

5. Fragmentation Methods: A Route to Accurate Calculations on Large Systems

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Effect of different defects on the competitive adsorption of formaldehyde and water on the surface of carbon materials: Density functional theory study;Science of The Total Environment;2024-02