Recent Advances in Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Simulations (DC-DFTB-MD)-Reference-Cited by-同舟云学术

Recent Advances in Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Simulations (DC-DFTB-MD)

Published:2015 Issue:3 Volume:14 Page:43-46
ISSN:1347-1767
Container-title:Journal of Computer Chemistry, Japan
language:en
Short-container-title:J. Comput. Chem. Jpn.

Author:

NISHIMURA Yoshifumi¹²,KAIHO Takeaki³,NAKAI Hiromi²³⁴⁵

Affiliation:

1. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, 38 Nishigo-Naka, Myodaiji, Okazaki, Aichi 444-8585, JAPAN

2. Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, JAPAN

3. Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, JAPAN

4. CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, JAPAN

5. ESICB Kyoto University, Kyotodaigaku-Katsura, Nishigyo-ku, Kyoto, Kyoto 615-8520, JAPAN

Publisher

Society of Computer Chemistry Japan

Subject

General Medicine

Link

https://www.jstage.jst.go.jp/article/jccj/14/3/14_2015-0031/_pdf

Reference21 articles.

1. 1 K. Leung, J. L. Budzien, Phys. Chem. Chem. Phys., 12, 6583 (2010).

2. 2 K. Ushirogata, K. Sodeyama, Y. Okuno, Y. Tateyama, J. Am. Chem. Soc., 135, 11967 (2013).

3. 3 K. Sodeyama, Y. Yamada, K. Aikawa, A. Yamada, Y. Tateyama, J. Phys. Chem. C, 118, 14091 (2014).

4. 4 A. J. Page, Y. Ohta, S. Irle, K. Morokuma, Acc. Chem. Res., 43, 1375 (2010).

5. 5 A. J. Page, F. Ding, S. Irle, K. Morokuma, Rep. Prog. Phys., 78, 036501 (2015).

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