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Alberto Otero‐de‐la‐Roza

universidad de oviedo

40H-index
201Paper Count
7.4KCitation Count
Published Papers 89
Publication Date
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Pressure-driven molecular ordering and host-guest interactions in tsaregorodtsevite: A tetramethylammonium sodalite-type natural zeolite
errMicroporous and Mesoporous Materials
IF4.7
err2026-04-07
err0
errOAAI
errG. Bera; J. Pellicer-Porres; J. González-Platas; A. Otero-de-la-Roza; R. Chuliá-Jordán; L.A. Pautov; V.Y. Karpenko; D. Santamaria-Perez
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Experimental Observation of a Calcium Silicon Double Carbonate
errAngewandte Chemie International Edition
IF16.9
err2026-01-21
err0
errOAAI
errBenedito Donizeti Botan-Neto; Prof. Dr. David Santamaria-Perez; Julia Bungarten; Dr. Lkhamsuren Bayarjargal; Prof. Dr. Björn Winkler; Prof. Dr. Alberto Otero-de-la-Roza; Dr. Bihan Wang
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Weak Noncovalent Interactions in Nonequilibrium Structures: How Good Are the Dispersion Corrections?
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2026-01-01
err0
PREAI
errBriccolani-Bandini, Lorenzo; Gnnanapareddy, Bhavesh; Labat, Frederic; Bremond, Eric; Sancho-Garcia, Juan Carlos; Otero-de-la-Roza, Alberto; Scalmani, Giovanni; Frisch, Michael J.; Cardini, Gianni; DiLabio, Gino A.; Adamo, Carlo
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Decoupling electronic transport properties: A combined physical and chemical pressure approach for boosting thermoelectric performance in skutterudites
errMaterials Today Physics
IF9.7
err2025-10-27
err0
errOAAI
errÁlvaro Lobato; Elena R. Remesal; Antonio M. Márquez; Fernando Izquierdo-Ruiz; Alberto Otero-de-la-Roza; Ernesto J. Blancas; J. Manuel Recio; José J. Plata
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Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-31
err0
PREAI
errMahsa Nazemi-Ashani; Alberto Otero-de-la-Roza; Gino A. DiLabio
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errSave
Effective Oxidation State Analysis for Solids
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-03
err0
PREAI
errGerard Comas-Vilà; Leila Pujal; Alberto Otero-de-la-Roza; Davide Tiana; Julia Contreras-Garcia; Pedro Salvador
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Compressibility and Anisotropy of Trona: Unveiling the Structure of a Dense Na3H(CO3)22H2O Polymorph
errINORGANIC CHEMISTRY
IF4.7
err2025-05-15
err0
errOAAI
errBotan-Neto, Benedito Donizeti; Santamaria-Perez, David; Wedek, Lena; Bayarjargal, Lkhamsuren; Bera, Ganesh; Botella, Pablo; Pellicer-Porres, Julio; Otero-de-la-Roza, Alberto; Popescu, Catalin; Alabarse, Frederico G.
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Polymorphism and Phase Stability of Hydrated Magnesium Carbonate Nesquehonite MgCO33H2O: Negative Axial Compressibility and Thermal Expansion in a Cementitious Material (vol 24, pg 1159, 2024)
errCRYSTAL GROWTH & DESIGN
IF3.4
err2025-02-12
err0
PREAI
errSantamaria-Perez, David; Chulia-Jordan, Raquel; Gonzalez-Platas, Javier; Otero-dela-Roza, Alberto; Ruiz-Fuertes, Javier; Pellicer-Porres, Julio; Oliva, Robert; Popescu, Catalin
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Structural Behavior of Minrecordite Carbonate Mineral upon Compression: Effect of Mg → Zn Chemical Substitution in Dolomite-Type Compounds (vol 8, pg 10403, 2023)
errACS OMEGA
IF4.3
err2025-02-12
err0
errOAAI
errSantamaria-Perez, David; Chulia-Jordan, Raquel; Otero-dela-Roza, Alberto; Ruiz-Fuertes, Javier; Pellicer-Porres, Julio; Popescu, Catalin
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Dense Hydrated Magnesium Carbonate MgCO33H2O Phases (vol 63, pg 15762, 2024)
errINORGANIC CHEMISTRY
IF4.7
err2025-02-12
err0
PREAI
errBotan-Neto, Benedito Donizeti; Santamaria-Perez, David; Bayarjargal, Lkhamsuren; Bykova, Elena; Gonzalez-Platas, Javier; Otero-dela-Roza, Alberto
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Solving Static and Dynamic Disorder in Cu4TiTe4: Crystal Structure and Thermodynamic Properties
errINORGANIC CHEMISTRY
IF4.7
err2025-02-07
err0
PREAI
errSuarez-Recio, Jorge; Lobato, Alvaro; Izquierdo-Ruiz, Fernando; Franco, Ruth; Otero-de-la-Roza, Alberto; Recio, J. Manuel
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Powder X-ray diffraction assisted evolutionary algorithm for crystal structure prediction
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err1
errOAAI
errRacioppi, Stefano; Otero-de-la-Roza, Alberto; Hajinazar, Samad; Zurek, Eva
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Thermodynamics of solids including anharmonicity through quasiparticle theory
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-11-22
err0
errOAAI
errBlancas, Ernesto J.; Lobato, Alvaro; Izquierdo-Ruiz, Fernando; Marquez, Antonio M.; Recio, J. Manuel; Nath, Pinku; Plata, Jose J.; Otero-de-la-Roza, Alberto
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errSave
Dense Hydrated Magnesium Carbonate MgCO33H2O Phases
errINORGANIC CHEMISTRY
IF4.7
err2024-08-12
err4
errOAAI
errBotan-Neto, Benedito Donizeti; Santamaria-Perez, David; Bayarjargal, Lkhamsuren; Bykova, Elena; Gonzalez-Platas, Javier; Otero-de-la-Roza, Alberto
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Bridging the gap between high-level quantum chemical methods and deep learning models
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-02-29
err1
errOAAI
errPrasad, Viki Kumar; Otero-de-la-Roza, Alberto; DiLabio, Gino A.
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errSave
Polymorphism and Phase Stability of Hydrated Magnesium Carbonate Nesquehonite MgCO33H2O: Negative Axial Compressibility and Thermal Expansion in a Cementitious Material
errCRYSTAL GROWTH & DESIGN
IF3.4
err2024-01-24
err4
errOAAI
errSantamaria-Perez, David; Chulia-Jordan, Raquel; Gonzalez-Platas, Javier; Otero-de-la-Roza, Alberto; Ruiz-Fuertes, Javier; Pellicer-Porres, Julio; Oliva, Robert; Popescu, Catalin
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Metastability and polymorphism in dihydroxybenzenes - implications for thermal energy storage
errENERGY ADVANCES
IF4.3
err2024-01-01
err0
errOAAI
errde la Fuente, Tomas S. Northam; Gaboardi, Mattia; Ismail, Kalith M.; Di Lisio, Valerio; Cangialosi, Daniele; Otero-de-la-Roza, Alberto; Coto, Pedro B.; Fernandez-Alonso, Felix
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Electron-deficient multicenter bonding in pnictogens and chalcogens: mechanism of formation
errJOURNAL OF MATERIALS CHEMISTRY C
IF5.1
err2024-01-01
err6
PREAI
errOsman, Hussien H.; Otero-de-la-Roza, Alberto; Rodriguez-Hernandez, P.; Munoz, Alfonso; Manjon, Francisco J.
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High-pressure structural phase transition on Bi14MoO24
errJOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
IF4.9
err2023-11-01
err4
PREAI
errBotella, P.; Santamaria-Perez, D.; Otero-de-la-Roza, A.; Oliva, R.; Achary, S. N.; Popescu, C.; Errandonea, D.
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errSave
Structural Behavior of Minrecordite Carbonate Mineral upon Compression: Effect of Mg → Zn Chemical Substitution in Dolomite- Type Compounds
errACS OMEGA
IF4.3
err2023-03-08
err1
errOAAI
errSantamaria-Perez, David; Chulia-Jordan, Raquel; Otero-de-la-Roza, Alberto; Ruiz-Fuertes, Javier; Pellicer-Porres, Julio; Popescu, Catalin
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errSave

Research Directions

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Co-authors
Cooperation Journals
J
Jenny Nelson
H-index: 117 · Papers: 583
M
Michael J. Frisch
H-index: 98 · Papers: 354
I
Ifor D. W. Samuel
H-index: 88 · Papers: 905
D
Detlef‐M. Smilgies
H-index: 78 · Papers: 416
A
A. T. Charlie Johnson
H-index: 77 · Papers: 453
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