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2020 – today
- 2026
[j13]Samad Hajinazar
, Eva Zurek:
XtalOpt version 14: Variable-composition crystal structure search for functional materials through Pareto optimization. Comput. Phys. Commun. 320: 109910 (2026)- [j12]Josiah Roberts, Biswas Rijal, Simon Divilov, Jon-Paul Maria, William G. Fahrenholtz, Douglas E. Wolfe, Donald W. Brenner, Stefano Curtarolo, Eva Zurek:
A software package for generating robust and accurate potentials using the moment tensor potential framework. Comput. Phys. Commun. 320: 110002 (2026) - 2025
- [i1]Josiah Roberts, Biswas Rijal, Simon Divilov, Jon-Paul Maria, William G. Fahrenholtz, Douglas E. Wolfe, Donald W. Brenner, Stefano Curtarolo, Eva Zurek:
A Software Package for Generating Robust and Accurate Potentials using the Moment Tensor Potential Framework. CoRR abs/2512.12433 (2025) - 2024
- [j11]Samad Hajinazar, Eva Zurek:
XtalOpt version 13: Multi-objective evolutionary search for novel functional materials. Comput. Phys. Commun. 304: 109306 (2024) - [j10]Ali Davariashtiyani, Busheng Wang, Samad Hajinazar, Eva Zurek, Sara Kadkhodaei:
Impact of data bias on machine learning for crystal compound synthesizability predictions. Mach. Learn. Sci. Technol. 5(3): 40501 (2024)
2010 – 2019
- 2019
- [j9]Patrick Avery, Cormac Toher, Stefano Curtarolo, Eva Zurek:
XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction. Comput. Phys. Commun. 237: 274-275 (2019) - 2018
- [j8]Patrick Avery, Zackary Falls, Eva Zurek:
XtalOpt version r11: An open-source evolutionary algorithm for crystal structure prediction. Comput. Phys. Commun. 222: 418-419 (2018) - 2017
- [j7]Patrick Avery, Eva Zurek:
RandSpg: An open-source program for generating atomistic crystal structures with specific spacegroups. Comput. Phys. Commun. 213: 208-216 (2017) - [j6]Patrick Avery, Zackary Falls, Eva Zurek:
XtalOpt Version r10: An open-source evolutionary algorithm for crystal structure prediction. Comput. Phys. Commun. 217: 210-211 (2017) - 2016
- [j5]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
- [j4]David C. Lonie, Eva Zurek:
Identifying duplicate crystal structures: XtalComp, an open-source solution. Comput. Phys. Commun. 183(3): 690-697 (2012) - [j3]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
- [j2]David C. Lonie, Eva Zurek:
XtalOpt: An open-source evolutionary algorithm for crystal structure prediction. Comput. Phys. Commun. 182(2): 372-387 (2011) - [j1]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)
Coauthor Index
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