학술논문

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발행년	- (예 : 2010-2015)

XtalOpt version r9: An open-source evolutionary algorithm for crystal structure prediction

Academic Journal

Falls, Zackary; Lonie, David C.; Avery, Patrick; Shamp, Andrew; Zurek, Eva

In Computer Physics Communications February 2016 199:178-179

Full Text (ScienceDirect) Web of Science JCR 저널정보 Scopus Find it@PNU

Metallization of Magnesium Polyhydrides Under Pressure

Report

Lonie, David C.; Hooper, James; Altintas, Bahadir; Zurek, Eva

Open Access (Arxiv) Find it@PNU

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform.

Academic Journal

Hanwell, Marcus D.; Curtis, Donald E.; Lonie, David C.; Vandermeersch, Tim; Zurek, Eva; Hutchison, Geoffrey R.

Journal of Cheminformatics. 2012, Vol. 4 Issue 1, p17-33. 17p. 14 Diagrams, 4 Charts.

EBSCOHost PDF Full Text (ProQuest Central) Full Text (Gale Academic Onefile) Open Access (BioMed Central) Web of Science JCR 저널정보 Scopus Find it@PNU

A Computational Experiment on Single-Walled Carbon Nanotubes.

Academic Journal

Simpson, Scott; Lonie, David C.; Chen, Jiechen; Zurek, Eva

Journal of Chemical Education. May2013, Vol. 90 Issue 5, p651-655. 5p.

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Identifying duplicate crystal structures: XtalComp, an open-source solution

Periodical

Lonie, David C.; Zurek, Eva

Computer Physics Communications. Mar2012, Vol. 183 Issue 3, p690-697. 8p.

Full Text (ScienceDirect) Web of Science JCR 저널정보 Scopus Find it@PNU

XtalOpt: An open-source evolutionary algorithm for crystal structure prediction

Periodical

Lonie, David C.; Zurek, Eva

Computer Physics Communications. Feb2011, Vol. 182 Issue 2, p372-387. 16p.

Full Text (ScienceDirect) Web of Science JCR 저널정보 Scopus Find it@PNU

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on
Research article

Academic Journal

O'Boyle, Noel M.; Guha, Rajarshi; Willighagen, Egon L.; Adams, Samuel E.; Alvarsson, Jonathan; Bradley, Jean-Claude; Filippov, Igor V.; Hanson, Robert M.; Hanwell, Marcus D.; Hutchison, Geoffrey R.; James, Craig A.; Jeliazkova, Nina; Lang, Andrew SID.; Langner, Karol M.; Lonie, David C.; Lowe, Daniel M.; Pansanel, Jérôme; Pavlov, Dmitry; Spjuth, Ola; Steinbeck, Christoph; Tenderholt, Adam L.; Theisen, Kevin J.; Murray-Rust, Peter

Journal of Cheminformatics. October 14, 2011, Vol. 3, 37

EBSCOHost PDF Full Text (ProQuest Central) Full Text (Gale Academic Onefile) Open Access (BioMed Central) Web of Science JCR 저널정보 Scopus Find it@PNU

A Computational Experiment on Single-Walled Carbon Nanotubes

Academic Journal

Simpson, Scott; Lonie, David C.; Chen, Jiechen

Journal of Chemical Education. May 2013 90(5):651-655.

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

XtalOpt version r7: An open-source evolutionary algorithm for crystal structure prediction

Periodical

Lonie, David C.; Zurek, Eva

Computer Physics Communications. Oct2011, Vol. 182 Issue 10, p2305-2306. 2p.

Full Text (ScienceDirect) Web of Science JCR 저널정보 Scopus Find it@PNU

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