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Alberto Otero-de-la-Roza

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2024
[j8]
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Viki Kumar Prasad, Alberto Otero-de-la-Roza, Gino Dilabio:
Bridging the gap between high-level quantum chemical methods and deep learning models. Mach. Learn. Sci. Technol. 5(1): 15035 (2024)
2022
[j7]
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Emilian Tuca, Gino Dilabio, Alberto Otero-de-la-Roza:
Minimal Basis Set Hartree-Fock Corrected with Atom-Centered Potentials for Molecular Crystal Modeling and Crystal Structure Prediction. J. Chem. Inf. Model. 62(17): 4107-4121 (2022)
2014
[j6]
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Alberto Otero-de-la-Roza, Erin R. Johnson, Víctor Luaña:
Critic2: A program for real-space analysis of quantum chemical interactions in solids. Comput. Phys. Commun. 185(3): 1007-1018 (2014)
2011
[j5]
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Alberto Otero-de-la-Roza, Víctor Luaña:
Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data. Comput. Phys. Commun. 182(8): 1708-1720 (2011)
[j4]
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Alberto Otero-de-la-Roza, David Abbasi-Pérez, Víctor Luaña:
Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation. Comput. Phys. Commun. 182(10): 2232-2248 (2011)
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Alberto Otero-de-la-Roza, Víctor Luaña:
A fast and accurate algorithm for QTAIM integration in solids. J. Comput. Chem. 32(2): 291-305 (2011)
2009
[j2]
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Alberto Otero-de-la-Roza, M. A. Blanco, Ángel Martín Pendás, Víctor Luaña:
Critic: a new program for the topological analysis of solid-state electron densities. Comput. Phys. Commun. 180(1): 157-166 (2009)
[j1]
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Alberto Otero-de-la-Roza, Víctor Luaña:
Runwien: a text-based interface for the WIEN package. Comput. Phys. Commun. 180(5): 800-812 (2009)

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