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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Tiekink, E. R. T.

12 Issues per year


IMPACT FACTOR 2016: 3.179

CiteScore 2016: 3.30

SCImago Journal Rank (SJR) 2016: 1.097
Source Normalized Impact per Paper (SNIP) 2016: 2.592

Online
ISSN
2196-7105
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Volume 219, Issue 12

Issues

Developments in genetic algorithm techniques for structure solution from powder diffraction data

Kenneth D. M. Harris / Scott Habershon / Eugene Y. Cheung / Roy L. Johnston
Published Online: 2009-09-25 | DOI: https://doi.org/10.1524/zkri.219.12.838.55856

Abstract

This paper presents an overview of developments that have taken place in recent years in the genetic algorithm technique for structure solution from powder diffraction data. After a brief resumé, of the essential features of the genetic algorithm technique for structure solution, the paper highlights recent developments in fundamental aspects of the technique, including the development of parallel computing concepts, the analysis of the evolutionary history in genetic algorithm structure solution calculations and the combination of energy information together with the powder diffraction data in structure solution. Several examples are also given to illustrate the application of the genetic algorithm technique to solve crystal structures of different types of organic molecular materials, including oligopeptides and multi-component co-crystals.

About the article

Published Online: 2009-09-25

Published in Print: 2004-12-01


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, Volume 219, Issue 12, Pages 838–846, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.219.12.838.55856.

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© 2004 Oldenbourg Wissenschaftsverlag GmbH. Copyright Clearance Center

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