Polynomial-time algorithms for the integer minimal principle for centrosymmetric structures

DOI10.1107/S010876730501648XMaRDI QIDQ5359206zbMATH OpenWikidataFDO

Authors Anastasia Vaia, Nikolaos V. Sahinidis

Publication date 22 September 2017

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

Full work available at URL https://doi.org/10.1107/S010876730501648X

zbMATH Keywords

integer minimal principlephase problem for centrosymmetric structurespolynomial-time algorithms

Mathematics Subject Classification ID

Computational aspects related to convexity (52B55) Statistical mechanics of crystals (82D25) Integer programming (90C10)

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Cited in

(4)

• Determination of small crystal structures from a minimum set of diffraction intensities by homotopy continuation
• Direct calculation of atomic coordinates from diffraction intensities: space group P1.
• An integer programming approach to the phase problem for centrosymmetric structures
• \textit{XGANDALF} -- extended gradient descent algorithm for lattice finding

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