Pablo Montero de Hijes - University of Vienna

Research activity per year

6 Article

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

5 Poster presentation
2 Talk or oral contribution
1 Participation in ...
1 Publication peer-review

Molecular orientation at the magnetite-water interface: Insights from SFG spectroscopy and molecular simulations
Harsharan Kaur (Contributor), Salvatore Romano (Contributor), Moritz Zelenka (Contributor), Pablo Montero de Hijes (Contributor), Moritz Eder (Contributor), Gareth S. Parkinson (Contributor), Christoph Dellago (Contributor) & Eleonora Hendrika Gertruda Mezger-Backus (Contributor)
23 Sept 2024
Activity: Talks and presentations › Poster presentation › Science to Science
Machine learning potentials for water simulations
Pablo Montero de Hijes (Speaker)
1 Dec 2023
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Ab initio Machine Learning Simulations of Water: From Bulk to Interfaces
Pablo Montero de Hijes (Speaker)
26 Sept 2023
Activity: Talks and presentations › Talk or oral contribution › Science to Science