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Journal Articles
- 2016
[j6]Zackary Falls
, David C. Lonie, Patrick Avery, Andrew Shamp, Eva Zurek:
XtalOpt version r9: An open-source evolutionary algorithm for crystal structure prediction. Comput. Phys. Commun. 199: 178-179 (2016)- 2012
- [j5]David C. Lonie, Eva Zurek:
Identifying duplicate crystal structures: XtalComp, an open-source solution. Comput. Phys. Commun. 183(3): 690-697 (2012) - [j4]Marcus D. Hanwell, Donald Ephraim Curtis, David C. Lonie, Tim Vandermeersch, Eva Zurek, Geoffrey R. Hutchison:
Avogadro: An advanced semantic chemical editor, visualization, and analysis platform. J. Cheminformatics 4: 17 (2012) - 2011
- [j3]David C. Lonie, Eva Zurek:
XtalOpt: An open-source evolutionary algorithm for crystal structure prediction. Comput. Phys. Commun. 182(2): 372-387 (2011) - [j2]David C. Lonie, Eva Zurek:
XtalOpt version r7: An open-source evolutionary algorithm for crystal structure prediction. Comput. Phys. Commun. 182(10): 2305-2306 (2011) - [j1]Noel M. O'Boyle, Rajarshi Guha, Egon L. Willighagen, Sam E. Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. I. D. Lang, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust:
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. J. Cheminformatics 3: 37 (2011)
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