Publications per year
Publications per year
Publications
- 7 Article
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2024
Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks
Montero de Hijes, P., Dellago, C., Jinnouchi, R., Schmiedmayer, B. & Kresse, G., 21 Mar 2024, In: Journal of Chemical Physics. 160, 11, 12 p., 114107.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Density isobar of water and melting temperature of ice: Assessing common density functionals
Montero de Hijes, P., Dellago, C., Jinnouchi, R. & Kresse, G., 7 Oct 2024, In: Journal of Chemical Physics. 161, 13, 8 p., 131102 .Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials
Omranpour, A., Montero De Hijes, P., Behler, J. & Dellago, C., 7 May 2024, In: Journal of Chemical Physics. 160, 17, 18 p., 170901.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Predictions of the interfacial free energy along the coexistence line from single-state calculations
Sanchez-Burgos, I., Montero de Hijes, P., Sanz, E., Vega, C. & R. Espinosa, J., 2024, In: Journal of Chemical Physics.Publications: Contribution to journal › Article › Peer Reviewed
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Statistical mechanics of crystal nuclei of hard spheres
de Jager, M., Vega, C., Montero de Hijes, P., Smallenburg, F. & Filion, L., 7 Nov 2024, In: Journal of Chemical Physics. 161, 18, 15 p., 184501.Publications: Contribution to journal › Article › Peer Reviewed
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2023
Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
Montero De Hijes, P., R Espinosa, J., Vega, C. & Dellago, C., 28 Mar 2023, In: Journal of Chemical Physics. 158, 12, 10 p., 124503.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
The kinetics of the ice-water interface from ab initio machine learning simulations
Montero de Hijes, P., Romano, S., Gorfer, A. & Dellago, C., 28 May 2023, In: Journal of Chemical Physics. 158, 20, 7 p., 204706.Publications: Contribution to journal › Article › Peer Reviewed
Open Access