Eva Zurek

14 papers Journal 14
YearRankTypeTitle / Venue / Authors
2026 J jnl
A software package for generating robust and accurate potentials using the moment tensor potential framework.
Comput. Phys. Commun.
Josiah Roberts, Biswas Rijal, Simon Divilov, Jon-Paul Maria, William G. Fahrenholtz, Douglas E. Wolfe, Donald W. Brenner, Stefano Curtarolo, Eva Zurek
2026 J jnl
XtalOpt version 14: Variable-composition crystal structure search for functional materials through Pareto optimization.
Comput. Phys. Commun.
Samad Hajinazar, Eva Zurek
2025 J jnl
A Software Package for Generating Robust and Accurate Potentials using the Moment Tensor Potential Framework.
CoRR
Josiah Roberts, Biswas Rijal, Simon Divilov, Jon-Paul Maria, William G. Fahrenholtz, Douglas E. Wolfe, Donald W. Brenner, Stefano Curtarolo, Eva Zurek
2024 J jnl
Impact of data bias on machine learning for crystal compound synthesizability predictions.
Mach. Learn. Sci. Technol.
Ali Davariashtiyani, Busheng Wang, Samad Hajinazar, Eva Zurek, Sara Kadkhodaei
2024 J jnl
XtalOpt version 13: Multi-objective evolutionary search for novel functional materials.
Comput. Phys. Commun.
Samad Hajinazar, Eva Zurek
2019 J jnl
XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction.
Comput. Phys. Commun.
Patrick Avery, Cormac Toher, Stefano Curtarolo, Eva Zurek
2018 J jnl
XtalOpt version r11: An open-source evolutionary algorithm for crystal structure prediction.
Comput. Phys. Commun.
Patrick Avery, Zackary Falls, Eva Zurek
2017 J jnl
RandSpg: An open-source program for generating atomistic crystal structures with specific spacegroups.
Comput. Phys. Commun.
Patrick Avery, Eva Zurek
2017 J jnl
XtalOpt Version r10: An open-source evolutionary algorithm for crystal structure prediction.
Comput. Phys. Commun.
Patrick Avery, Zackary Falls, Eva Zurek
2016 J jnl
XtalOpt version r9: An open-source evolutionary algorithm for crystal structure prediction.
Comput. Phys. Commun.
Zackary Falls, David C. Lonie, Patrick Avery, Andrew Shamp, Eva Zurek
2012 J jnl
Avogadro: An advanced semantic chemical editor, visualization, and analysis platform.
J. Cheminformatics
Marcus D. Hanwell, Donald Ephraim Curtis, David C. Lonie, Tim Vandermeersch, Eva Zurek, Geoffrey R. Hutchison
2012 J jnl
Identifying duplicate crystal structures: XtalComp, an open-source solution.
Comput. Phys. Commun.
David C. Lonie, Eva Zurek
2011 J jnl
XtalOpt version r7: An open-source evolutionary algorithm for crystal structure prediction.
Comput. Phys. Commun.
David C. Lonie, Eva Zurek
2011 J jnl
XtalOpt: An open-source evolutionary algorithm for crystal structure prediction.
Comput. Phys. Commun.
David C. Lonie, Eva Zurek