David Lonie
David Lonie
State University at New York, Buffalo
Email verificata su buffalo.edu
Titolo
Citata da
Citata da
Anno
Avogadro: An advanced semantic chemical editor, visualization, and analysis platform.
MD Hanwell, DE Curtis, DC Lonie, T Vandermeersch, E Zurek, ...
J. Cheminformatics 4 (1), 17, 2012
43362012
XtalOpt version r7: An open-source evolutionary algorithm for crystal structure prediction
DC Lonie, E Zurek
Computer Physics Communications 182 (10), 2305-2306, 2011
257*2011
XtalOpt: An open-source evolutionary algorithm for crystal structure prediction
DC Lonie, E Zurek
Computer Physics Communications 182 (2), 372-387, 2011
2462011
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
NM O'Boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, JC Bradley, ...
J. Cheminformatics 3, 37, 2011
762011
Metallization of magnesium polyhydrides under pressure
DC Lonie, J Hooper, B Altintas, E Zurek
Physical Review B 87 (5), 054107, 2013
732013
Identifying duplicate crystal structures: XtalComp, an open-source solution
DC Lonie, E Zurek
Computer Physics Communications 183 (3), 690-697, 2012
672012
XtalOpt version r9: An open-source evolutionary algorithm for crystal structure prediction
Z Falls, DC Lonie, P Avery, A Shamp, E Zurek
Computer Physics Communications 199, 178-179, 2016
232016
Avogadro: an open-source molecular builder and visualization tool
MD Hanwell, DE Curtis, DC Lonie, T Vandermeersch, E Zurek, ...
J. Cheminformatics 4, 17, 2012
192012
A Computational Experiment on Single-Walled Carbon Nanotubes
S Simpson, DC Lonie, J Chen, E Zurek
Journal of Chemical Education 90 (5), 651-655, 2013
142013
Determination of the structures of molecularly imprinted polymers and xerogels using an automated stochastic approach
A Wach, J Chen, Z Falls, D Lonie, ER Mojica, D Aga, J Autschbach, ...
Analytical chemistry 85 (18), 8577-8584, 2013
112013
Open Source Chemistry: Creating Tools for Automated Structure Prediction, Modeling, Visualization, and Analysis
DC Lonie
State University of New York at Buffalo, 2013
2013
Theoretical predictions of pressure-stabilized alkali metal polyhydrides
E Zurek, D Lonie, P Baettig, J Hooper
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011
2011
Open Data, Open Source, and Open Standards in Chemistry: The Blue Obelisk five years on
A Lang, NM O'Boyle, R Guha, E Willighagen, S Adams, J Alvarsson, ...
2011
Predicting the Geometries and Electronic Structures of Compressed Solids
E Zurek, P Baettig, D Lonie, R Hoffmann
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
Articoli 1–14