DOI: 10.1021/ct500847y. Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+ Atoms

Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+ Atoms

10.1021/ct500847y

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Arita, M., Bowler, D. R., & Miyazaki, T. (2014). Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+ Atoms. Journal of Chemical Theory and Computation, 10(12), 5419â5425.

Authors 3

Michiaki Arita (first)
David R. Bowler (additional)
Tsuyoshi Miyazaki (additional)

References 36 Referenced 42

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Bowler, D.; Miyazaki, T.; Truflandier, L. A.; Gillan, M. J.Comment on “Accurate and Scalable O(N) Algorithm for First-Principles Molecular-Dynamics Computations on Large Parallel Computers. 2014, arXiv:1402.6828. arXiv.org eprint archive.http://arxiv.org/abs/1402.6828(accessed Sept 22, 2014).
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Dates

Type	When
Created	10 years, 9 months ago (Nov. 10, 2014, 1:12 p.m.)
Deposited	2 years, 4 months ago (April 17, 2023, 12:05 p.m.)
Indexed	6 months ago (Feb. 21, 2025, 7:40 a.m.)
Issued	10 years, 9 months ago (Nov. 21, 2014)
Published	10 years, 9 months ago (Nov. 21, 2014)
Published Online	10 years, 9 months ago (Nov. 21, 2014)
Published Print	10 years, 8 months ago (Dec. 9, 2014)

Funders 2

Ministry of Education, Culture, Sports, Science, and Technology 10.13039/501100001700 Ministry of Education, Culture, Sports, Science and Technology
Region: Asia
gov (National government)
Labels3
1. Monbu-kagaku-shō
2. 文部科学省
3. MEXT
Awards1
1. 22104005
Japan Society for the Promotion of Science 10.13039/501100001691
Region: Asia
gov (National government)
Labels6
1. KAKENHI
2. 日本学術振興会
3. Gakushin
4. JSPS KAKEN
5. JSPS Grants-in-Aid for Scientific Research
6. JSPS
Awards2
1. 26610120
2. 26246021

BibTeX

@article{Arita_2014, title={Stable and Efficient Linear Scaling First-Principles Molecular Dynamics for 10000+ Atoms}, volume={10}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct500847y}, DOI={10.1021/ct500847y}, number={12}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Arita, Michiaki and Bowler, David R. and Miyazaki, Tsuyoshi}, year={2014}, month=nov, pages={5419–5425} }

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