PABLO
MONTERO DE HIJES
Investigador hasta 2022
University of Vienna
Viena, AustriaPublicaciones en colaboración con investigadores/as de University of Vienna (11)
2024
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Atomistic potential descriptors and structures of defected water and silicon systems
Zenodo
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Atomistic potential descriptors and structures of defected water and silicon systems
Zenodo
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Atomistic potential descriptors and structures of water and silicon phases
Zenodo
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Atomistic potential descriptors and structures of water and silicon phases
Zenodo
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Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks
Journal of Chemical Physics, Vol. 160, Núm. 11
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Density isobar of water and melting temperature of ice: Assessing common density functionals
Journal of Chemical Physics, Vol. 161, Núm. 13
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Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials
Journal of Chemical Physics, Vol. 160, Núm. 17
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RPBE/D3/zd - Water datasets
Zenodo
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RPBE/D3/zd - Water datasets
Zenodo
2023
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Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
Journal of Chemical Physics, Vol. 158, Núm. 12
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The kinetics of the ice-water interface from ab initio machine learning simulations
Journal of Chemical Physics, Vol. 158, Núm. 20