Large-scale first-principles molecular dynamics: Moving from terascale to petascale computing

Journal of Physics: Conference Series

Volumn 46, Issue 1, 2006, Pages 268-277

  Gygi, François ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33749049543     PISSN: 17426588     EISSN: 17426596     Source Type: Conference Proceeding    
DOI: 10.1088/1742-6596/46/1/038     Document Type: Conference Paper

References (22)

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8. See e.g. the plane-wave basis set distribution algorithm adopted in the PARATEC code (http://www.nersc.gov/projects/paratec)
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18. Gygi F et al Proc. ACM/IEEE SC2006 Conf. (submitted)
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22. Fattebert J-L and F Gygi 2006 Linear-scaling first-principles molecular dynamics with planewaves accuracy, Phys. Rev. B 73 115124