Performance analysis of open-source distributed file systems for practical large-scale molecularab initio,density functional theory, and GW + BSE calculations

Author:

Roch Loïc M.12,Aleksiev Tyanko3,Murri Riccardo3,Baldridge Kim K.12ORCID

Affiliation:

1. Department of Chemistry; University of Zürich, Winterthurerstrasse 190; Zürich 8057 Switzerland

2. School of Pharmaceutical Science and Technology; University of Tianjin, 92 Weijin Road; Nankai District Tianjin 3000072 People's Republic of China

3. Service and Support for Science IT; University of Zürich, Winterthurerstrasse 190; Zürich 8057 Switzerland

Funder

National Basic Research Program of China

Qian Ren Scholar Program of China, and the Synergistic Innovation Center of chemical Science and Engineering (Tianjin)

Qian Ren Scholar Program of China

Publisher

Wiley

Subject

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

Reference76 articles.

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3. R. Breslow M. V. Tirrell J. K. Barton M. A. Barteau C. R. Bertozzi R. A. B. P. Gast I. E. Grossmann J. M. Meyer R. W. Murray P. J. Reider W. R. Roush M. L. Shuler J. J. Siirola G. M. Whitesides P. G. Wolynes R. N. Zare Beyond the Molecular Frontier: Challenges for Chemistry and Chemical Engineering 2001

4. General atomic and molecular electronic structure system

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