On the achievement of high fidelity and scalability for large-scale diagonalizations in grid-based DFT simulations-Reference-Cited by-同舟云学术

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On the achievement of high fidelity and scalability for large-scale diagonalizations in grid-based DFT simulations

Published:2018-03-09 Issue:16 Volume:118 Page:e25622
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Choi Sunghwan¹²^ORCID,Kim Woo Youn²,Yeom Min Sun¹,Ryu Hoon¹^ORCID

Affiliation:

1. National Institute of Supercomputing and Networking, Korea Institute of Science and Technology Information; Daejeon 34141 Republic of Korea

2. Department of Chemistry; Korea Advanced Institute of Science and Technology; Daejeon 34141 Republic of Korea

Funder

Intel Corporation

USA

National Research Foundation of Korea

Korea Institute of Science and Technology Information

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25622/fullpdf

Reference55 articles.

1. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

2. Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave Method

3. Challenges in large scale quantum mechanical calculations

4. https://www.top500.org/lists/2016/11/

5. Large-scale ab initio calculations based on three levels of parallelization

Cited by 2 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. Improving strong scalability of electronic structure simulations with reduced overhead of communications;Computer Physics Communications;2023-07

2. Cost-efficient simulations of large-scale electronic structures in the standalone manycore architecture;Computer Physics Communications;2021-10

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