Parallel implementation of the ab initio CRYSTAL program: electronic structure calculations for periodic systems | Zendy

Ian J. Bush | Zendy; Stanko Tomić | Zendy; B. G. Searle | Zendy; Giuseppe Mallia | Zendy; C. L. Bailey | Zendy; B. Montanari | Zendy; Leonardo Bernasconi | Zendy; Joanne M. Carr | Zendy; N. M. Harrison | Zendy

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Parallel implementation of the ab initio CRYSTAL program: electronic structure calculations for periodic systems

Author(s) -

Ian J. Bush,

Stanko Tomić,

B. G. Searle,

Giuseppe Mallia,

C. L. Bailey,

B. Montanari,

Leonardo Bernasconi,

Joanne M. Carr,

N. M. Harrison

Publication year - 2011

Publication title -

proceedings of the royal society a mathematical physical and engineering sciences

Language(s) - English

Resource type - Journals

eISSN - 1471-2946

pISSN - 1364-5021

DOI - 10.1098/rspa.2010.0563

Subject(s) - ab initio , massively parallel , atomic orbital , computer science , electronic structure , crystal (programming language) , implementation , exploit , computational science , crystal structure , parallel computing , computational chemistry , physics , chemistry , crystallography , quantum mechanics , computer security , programming language , electron

13/08/12 meb. Accepted version attached, ok to publis

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