de Jager, M., Vega, C., Montero de Hijes, P., Smallenburg, F., & Filion, L. (2024). Statistical mechanics of crystal nuclei of hard spheres. Journal of Chemical Physics, 161(18), Article 184501. https://doi.org/10.48550/arXiv.2407.04394, https://doi.org/10.1063/5.0226862

Montero de Hijes, P., Dellago, C., Jinnouchi, R., & Kresse, G. (2024). Density isobar of water and melting temperature of ice: Assessing common density functionals. Journal of Chemical Physics, 161(13), Article 131102 . https://doi.org/10.1063/5.0227514

Omranpour, A., Montero De Hijes, P., Behler, J., & Dellago, C. (2024). Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials. Journal of Chemical Physics, 160(17), Article 170901. https://doi.org/10.48550/arXiv.2401.17875, https://doi.org/10.1063/5.0201241

Montero de Hijes, P., Dellago, C., Jinnouchi, R., Schmiedmayer, B., & Kresse, G. (2024). Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks. Journal of Chemical Physics, 160(11), Article 114107. https://doi.org/10.1063/5.0197105

Sanchez-Burgos, I., Montero de Hijes, P., Sanz, E., Vega, C., & R. Espinosa, J. (2024). Predictions of the interfacial free energy along the coexistence line from single-state calculations. Journal of Chemical Physics.

Montero de Hijes, P., Romano, S., Gorfer, A., & Dellago, C. (2023). The kinetics of the ice-water interface from ab initio machine learning simulations. Journal of Chemical Physics, 158(20), Article 204706. https://doi.org/10.48550/arXiv.2303.11092, https://doi.org/10.1063/5.0151011

Montero De Hijes, P., R Espinosa, J., Vega, C., & Dellago, C. (2023). Minimum in the pressure dependence of the interfacial free energy between ice Ih and water. Journal of Chemical Physics, 158(12), Article 124503. https://doi.org/10.1063/5.0140814, https://doi.org/10.48550/arXiv.2301.00178