Alberto Otero‐de‐la‐Roza

Universidad de Oviedo — Spain

Physics and Astronomy · Physical Sciences

40h-index7.4kcitations203works6.72yr avg
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Research Topics

Advanced Chemical Physics Studies(56), Crystallography and molecular interactions(46), X-ray Diffraction in Crystallography(35), High-pressure geophysics and materials(26), Machine Learning in Materials Science(25)

Publications203 total

Weak Noncovalent Interactions in Nonequilibrium Structures: How Good Are the Dispersion Corrections?
The Journal of Physical Chemistry Letters·2026
Decoupling electronic transport properties: A combined physical and chemical pressure approach for boosting thermoelectric performance in skutterudites
Materials Today Physics·2025· 1 citedOpen Access
Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory
Journal of Chemical Theory and Computation·2025· 1 cited
Effective Oxidation State Analysis for Solids
Journal of Chemical Theory and Computation·2025· 1 citedOpen Access
Compressibility and Anisotropy of Trona: Unveiling the Structure of a Dense Na<sub>3</sub>H(CO<sub>3</sub>)<sub>2</sub>·2H<sub>2</sub>O Polymorph
Inorganic Chemistry·2025· 3 citedOpen Access
Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory
2025Open Access
Pressure-induced decomposition of Bi14WO24
Results in Physics·2025· 3 citedOpen Access
Correction to “Dense Hydrated Magnesium Carbonate MgCO<sub>3</sub>·3H<sub>2</sub>O Phases”
Inorganic Chemistry·2025Open Access
Correction to “Structural Behavior of Minrecordite Carbonate Mineral upon Compression: Effect of Mg → Zn Chemical Substitution in Dolomite-Type Compounds”
ACS Omega·2025Open Access
Correction to “Polymorphism and Phase Stability of Hydrated Magnesium Carbonate Nesquehonite MgCO<sub>3</sub>·3H<sub>2</sub>O: Negative Axial Compressibility and Thermal Expansion in a Cementitious Material”
Crystal Growth & Design·2025Open Access
Solving Static and Dynamic Disorder in Cu <sub>4</sub> TiTe <sub>4</sub> : Crystal Structure and Thermodynamic Properties
Inorganic Chemistry·2025Open Access
Pressure-driven phase transformations on Mg<sub>3</sub>Ca(CO<sub>3</sub>)<sub>4</sub> huntite carbonate
Physical Chemistry Chemical Physics·2025· 2 citedOpen Access
Thermodynamics of solids including anharmonicity through quasiparticle theory
npj Computational Materials·2024· 10 citedOpen Access
Powder X-ray diffraction assisted evolutionary algorithm for crystal structure prediction
Digital Discovery·2024· 8 citedOpen Access
The seventh blind test of crystal structure prediction: structure ranking methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 59 citedOpen Access
The seventh blind test of crystal structure prediction: structure generation methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 65 citedOpen Access
Assessment of the exchange-hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind test
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 6 citedOpen Access
Thermodynamics of Solids Including Anharmonicity Through Quasiparticle Theory
2024Open Access
Thermodynamics of Solids Including Anharmonicity Through Quasiparticle Theory
2024· 2 citedOpen Access
Structural stability and adsorption behaviour of CO2-loaded pure silica CHA and ITW zeolites upon compression
Microporous and Mesoporous Materials·2024· 2 citedOpen Access
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Frequent Co-authors

Erin R. Johnson(32), Vı́ctor Luaña(12), Gino A. DiLabio(8), Ashlie Martini(4), Luc M. LeBlanc(4), Stephen G. Dale(3), Tarik Ouahrani(3), R. Khenata(3), B. Amrani(3), Julia Contreras‐García(2), Beth Rice(2), Kim E. Jelfs(2), Jenny Nelson(2), Matthew J. Fuchter(2), Zhijiang Ye(2), A.H. Reshak(2), M. Mebrouki(2), Viki Kumar Prasad(2), Sarah R. Whittleton(2), Lily M. Hunnisett(2)