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Ricardo Grau‐Crespo

leibniz institute for solid state & materials research dresden

36H-index
187Paper Count
4.1KCitation Count
Published Papers 75
Publication Date
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Thermodynamic Stability and Hydrogen Bonds in Mixed Halide Perovskites
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-09
err0
errOAAI
errLiz Camayo-Gutierrez; Javiera Ubeda; Ana L. Montero-Alejo; Ricardo Grau-Crespo; Eduardo Menéndez-Proupin
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2026 roadmap toward sustainable thermoelectrics
errJournal of Physics-Energy
IF6.3
err2026-03-31
err2
PREAI
errBos, Jan-Willem G.; Mohanty, Trupti; Sparks, Taylor D.; Xie, Wenjie; Weidenkaff, Anke; Grasso, Salvatore; Zhang, Ruizhi; Reece, Michael J.; Wang, Teng; Son, Jae Sung; Akbar, Samina; Nandhakumar, Iris; Tuley, Richard; Koz, Cevriye; He, Ran; Ying, Pingjun; Bahrami, Amin; Pacheco, Vicente; Nielsch, Kornelius; Grau-Crespo, Ricardo; Antunes, Luis M.; Butler, Keith T.; Neophytou, Neophytos; Dutt, Rajeev; Sahni, Bhawna; Chauhan, Nagendra Singh; Mori, Takao; Parzer, M.; Garmroudi, F.; Riss, A.; Bauer, E.; Zeng, Chongyang; Bilotti, Emiliano; You, Chang; Fenwick, Oliver; Vaqueiro, Paz; Guilmeau, Emmanuel; Das, Animesh; Biswas, Kanishka; Liu, Yu; Fu, Chenguang; Zhu, Tiejun; Rogl, Gerda; Rogl, Peter; Mangelis, Panagiotis; Kyratsi, Theodora; Funahashi, Ryoji
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Inversion of the Impedance Response Towards Physical Parameter Extraction Using Interpretable Machine Learning
errAdvanced Energy Materials
IF26
err2026-03-26
err0
errOAAI
errMahmoud Nabil; Isel Grau; Ricardo Grau-Crespo; Said Hamad; Juan A. Anta
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Sample-efficient active learning for materials informatics using integrated posterior variance
errComputational Materials Science
IF3.3
err2026-02-09
err0
errOAAI
errRamsey Issa; Said Hamad; Ricardo Grau-Crespo; Emad Awad; Taylor D. Sparks
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Interface chemistry and particle size distribution effects on the specific heat capacity of nanofluids
errMaterials & Design
IF7.9
err2026-01-07
err0
errOAAI
errIván Carrillo-Berdugo; Ricardo Grau-Crespo; Javier Navas
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Capturing local compositional fluctuations in NMR modelling of solid solutions
errChem. Sci.
IF7.4
err2025-10-23
err0
errOAAI
errRicardo Grau-Crespo; Said Hamad; Salvador R. G. Balestra; Ramsey Issa; Taylor D. Sparks; Arantxa Fernandes; Ben L. Griffiths; Robert F. Moran; David McKay; Sharon E. Ashbrook
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Core-level binding energies describe electrostatic potentials at nuclei for ionic liquids
errPhys. Chem. Chem. Phys.
IF2.9
err2025-10-01
err0
errOAAI
errFrances Towers Tompkins; Ekaterina Gousseva; Roger Bennett; Ricardo Grau-Crespo; Kevin R. J. Lovelock
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Zinc depletion at the ZnFe2O4 (1 1 1) single crystal surface: X-ray spectroscopy experiments and computer simulations
errApplied Surface Science
IF6.9
err2025-08-05
err0
errOAAI
errCharlotte A. Hall; David C. Grinter; Jonas Sandemann; Bo Brummerstedt Iversen; Roger A. Bennett; Georg Held; Ricardo Grau-Crespo; Pilar Ferrer
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Crystal structure generation with autoregressive large language modeling
errNATURE COMMUNICATIONS
IF15.7
err2024-12-06
err0
errOAAI
errAntunes, Luis M.; Butler, Keith T.; Grau-Crespo, Ricardo
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Probing the thermal resistance of solid-liquid interfaces in nanofluids with molecular dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-01-04
err5
errOAAI
errCarrillo-Berdugo, Ivan; Navas, Javier; Grau-Crespo, Ricardo
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Spinel ferrites MFe2O4 (M = Co, Cu, Zn) for photocatalysis: theoretical and experimental insights
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2024-01-01
err1
errOAAI
errHall, Charlotte A.; Ferrer, Pilar; Grinter, David C.; Kumar, Santosh; da Silva, Ivan; Rubio-Zuazo, Juan; Bencok, Peter; de Groot, Frank; Held, Georg; Grau-Crespo, Ricardo
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Ultralow thermal conductivity in defect pyrochlores: balancing mass fluctuation scattering and rattling modes
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2024-01-01
err1
errOAAI
errOrmerod, Natasha; Powell, Anthony V.; Grau-Crespo, Ricardo; Gover, Richard K. B.; Cox, Christina J.
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Theoretical Investigation of the Lattice Thermal Conductivities of II-IV-V2 Pnictide Semiconductors
errACS APPLIED ELECTRONIC MATERIALS
IF4.7
err2023-11-22
err3
errOAAI
errPosligua, Victor; Plata, Jose J.; Marquez, Antonio M.; Sanz, Javier Fdez.; Grau-Crespo, Ricardo
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Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-08-08
err10
errOAAI
errGarrote-Marquez, Alejandro; Lodeiro, Lucas; Suresh, Rahul; Cruz Hernandez, Norge; Grau-Crespo, Ricardo; Menendez-Proupin, Eduardo
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errSave
Predicting thermoelectric transport properties from composition with attention-based deep learning
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-04-04
err11
errOAAI
errAntunes, Luis M.; Butler, Keith T.; Grau-Crespo, Ricardo
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Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2023-01-01
err10
errOAAI
errPlata, Jose J.; Blancas, Ernesto J.; Marquez, Antonio M.; Posligua, Victor; Sanz, Javier Fdez; Grau-Crespo, Ricardo
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Interface chemistry effects in nanofluids: Experimental and computational study of oil-based nanofluids with gold nanoplates
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-09-01
err5
errOAAI
errCarrillo-Berdugo, Ivan; Sampalo-Guzman, Javier; Grau-Crespo, Ricardo; Zorrilla, David; Navas, Javier
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Tin-Substituted Chalcopyrite: An n-Type Sulfide with Enhanced Thermoelectric Performance
errCHEMISTRY OF MATERIALS
IF7
err2022-06-25
err13
errOAAI
errTippireddy, Sahil; Azough, Feridoon; Vikram; Tompkins, Frances Towers; Bhui, Animesh; Freer, Robert; Grau-Crespo, Ricardo; Biswas, Kanishka; Vaqueiro, Paz; V. Powell, Anthony
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Distributed representations of atoms and materials for machine learning
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2022-03-18
err15
errOAAI
errAntunes, Luis M.; Grau-Crespo, Ricardo; Butler, Keith T.
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errSave
Charting the Lattice Thermal Conductivities of I-III-VI2 Chalcopyrite Semiconductors
errCHEMISTRY OF MATERIALS
IF7
err2022-03-01
err31
errOAAI
errPlata, Jose J.; Posligua, Victor; Marquez, Antonio M.; Sanz, Javier Fernandez; Grau-Crespo, Ricardo
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Research Directions

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Co-authors
Cooperation Journals
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Kazunari Domen
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James R. Durrant
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A
Aron Walsh
H-index: 126 · Papers: 984
C
C. Richard A. Catlow
H-index: 111 · Papers: 1.4K
H
Harry L. Anderson
H-index: 94 · Papers: 748
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