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Gordius: A data parallel algorithm for spatial data conversion

✍ Scribed by Kim Mills; Ferenc Csillag; Maher Kaddoura

Book ID: 113232388
Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 846 KB
Volume: 19
Category: Article
ISSN: 0098-3004
DOI: 10.1016/0098-3004(93)90009-t

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## Abstract One of the most commonly used means to characterize potential energy surfaces of reactions and chemical systems is the Hessian calculation, whose analytic evaluation is computationally and memory demanding. A new scalable distributed data analytic Hessian algorithm is presented. Feature