# Publications using pyscal

- Laurens, Gaétan, Jacek Goniakowski, and Julien Lam. **“Non-Classical Nucleation of Zinc Oxide from a Physically-Motivated Machine-Learning  Approach.”** [ArXiv:2108.10601 [Cond-Mat, Physics:Physics], August 24, 2021.](http://arxiv.org/abs/2108.10601)

- Menon, Sarath, Yury Lysogorskiy, Jutta Rogal, and Ralf Drautz. **“Automated Free Energy Calculation from Atomistic Simulations.”** [ArXiv:2107.08980 [Cond-Mat], July 19, 2021.](http://arxiv.org/abs/2107.08980).

- Quentino, J. V., and P. A. F. P. Moreira. **“Determining Neighborhood Phases in Hard-Sphere Systems Using Machine Learning.”** [The European Physical Journal B 94, no. 6 (June 2021): 130.](https://doi.org/10.1140/epjb/s10051-021-00140-9).

- Casillas-Trujillo, Luis, Ulf Jansson, Martin Sahlberg, Gustav Ek, Magnus M. Nygård, Magnus H. Sørby, Bjørn C. Hauback, Igor A. Abrikosov, and Björn Alling. **“Interstitial Carbon in Bcc HfNbTiVZr High-Entropy Alloy from First Principles.”** [Physical Review Materials 4, no. 12 (December 2, 2020): 123601.](https://doi.org/10.1103/PhysRevMaterials.4.123601).

- Menon, Sarath, Grisell Díaz Leines, Ralf Drautz, and Jutta Rogal. **“Role of Pre-Ordered Liquid in the Selection Mechanism of Crystal Polymorphs during Nucleation.”** [The Journal of Chemical Physics 153, no. 10 (September 14, 2020): 104508.](https://doi.org/10.1063/5.0017575).

- Gao, Xueyun, Haiyan Wang, Lei Xing, Cainv Ma, and Huiping Ren. **“Evolution of Local Atomic Structure during Solidification of Fe-RE (RE=La, Ce) Alloy.”** [Journal of Non-Crystalline Solids 542 (August 2020): 120109.](https://doi.org/10.1016/j.jnoncrysol.2020.120109).

- Menon, Sarath, Grisell Leines, and Jutta Rogal. **“Pyscal: A Python Module for Structural Analysis of Atomic Environments.”** [Journal of Open Source Software 4, no. 43 (November 1, 2019): 1824.](https://doi.org/10.21105/joss.01824).