Fast differentiation algorithm and efficient calculation of the exact matrix of second derivatives

DOI10.1107/S0108767301003397MaRDI QIDQ3566918zbMATH OpenOpenAlexWikidataFDO

Authors Alexandre G. Urzhumtsev, Vladimir Y. Lunin

Publication date 10 June 2010

Published in Acta Crystallographica Section A Foundations of Crystallography (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1107/s0108767301003397

zbMATH Keywords

fast differentiation algorithmmatrix of second derivatives

Mathematics Subject Classification ID

Numerical differentiation (65D25) Statistical mechanics of crystals (82D25)

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Cited in

(1)

• Application of the fast automatic differentiation for calculation of gradients of material's bulk modulus and shear modulus

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