Ricardo Grau-Crespo
University of Reading
H-index: 36
Europe-United Kingdom
Top articles of Ricardo Grau-Crespo
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Probing the thermal resistance of solid-liquid interfaces in nanofluids with molecular dynamics | The Journal of Chemical Physics | Iván Carrillo-Berdugo Javier Navas Ricardo Grau-Crespo | 2024/1/4 |
Numerical representations of AB-type copolymer complexes: Analysis of 1H NMR chemical shift patterns in terms of a Smith-Cantor set | ChemRxiv | Howard Colquhoun Ricardo Grau-Crespo | 2024/1/2 |
Theoretical investigation of the lattice thermal conductivities of II-IV-V2 pnictide semiconductors | ACS Applied Electronic Materials | Victor Posligua Jose J Plata Antonio M Márquez Javier Fdez Sanz Ricardo Grau-Crespo | 2023/11 |
Thermodynamic analysis of the interaction between metal vacancies and hydrogen in bulk Cu | Physical Chemistry Chemical Physics | Vasileios Fotopoulos Ricardo Grau-Crespo Alexander Shluger | 2023/3/16 |
Co-Substituted BiFeO3: Electronic, Ferroelectric, and Thermodynamic Properties from First Principles | Advanced Theory and Simulations | Shivani Grover Keith T. Butler Umesh V. Waghmare Ricardo Grau-Crespo | 2023/10 |
Thermodynamic analysis on the effect of H in the formation of vacancy clusters in Cu | Bulletin of the American Physical Society | Vasileios Fotopoulos Ricardo Grau-Crespo Alexander Shluger | 2023/3/9 |
High-throughput and accurate prediction of the thermal and electron transport properties of large chemical spaces accelerated by machine learning | Thermoelectrics | JJ Plata AM Márquez EJ Blancas V Posligua R Grau-Crespo | 2023/9/17 |
Predicting Thermoelectric Transport Properties from Composition with Attention-based Deep Learning | Machine Learning: Science and Technology | Luis M Antunes Keith Tobias Butler Ricardo Grau-Crespo | 2023/3 |
Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics | The Journal of Physical Chemistry C | Alejandro Garrote-Márquez Lucas Lodeiro Rahul Suresh Norge Cruz Hernández Ricardo Grau-Crespo | 2023/8/8 |
An experimental and theoretical study of spinel ferrites, MFe2O4 (M= Co, Zn), by X-ray photoelectron spectroscopy | Charlotte Hall Pilar Ferrer David Grinter Ricardo Grau-Crespo Georg Held | 2023/1/11 | |
Harnessing the Unusually Strong Improvement of Thermoelectric Performance of AgInTe2 with Nanostructuring | Journal of Materials Chemistry A | Jose J Plata Ernesto J Blancas Antonio Márquez Victor Posligua Javier Fernández Sanz | 2023/7/20 |
Tuning the mechanical properties of dicyanamide-based molecular perovskites | CrystEngComm | Shivani Grover Stefan Burger Keith Butler Karina Hemmer Pia Vervoorts | 2023 |
Crystal structure generation with autoregressive large language modeling | arXiv preprint arXiv:2307.04340 | Luis M Antunes Keith T Butler Ricardo Grau-Crespo | 2023/7/10 |
Charting the Lattice Thermal Conductivities of I–III–VI2 Chalcopyrite Semiconductors | Chemistry of Materials | Jose J Plata Victor Posligua Antonio M Márquez Javier Fernandez Sanz Ricardo Grau-Crespo | 2022/3/1 |
Machine Learning Approaches for Accelerating the Discovery of Thermoelectric Materials | Luis M Antunes Jose J Plata Anthony V Powell Keith T Butler Ricardo Grau-Crespo | 2022/6 | |
Understanding X-ray Photoelectron Spectra of Ionic Liquids: Experiments and Simulations of 1-Butyl-3-methylimidazolium Thiocyanate | The Journal of Physical Chemistry B | Ekaterina Gousseva Scott D Midgley Jake M Seymour Robert Seidel Ricardo Grau-Crespo | 2022/12/1 |
Bromate incorporation in calcite and aragonite | Geochimica et Cosmochimica Acta | Scott D Midgley Dominik Fleitmann Ricardo Grau-Crespo | 2022/5/1 |
Mixed-anion mixed-cation perovskite (FAPbI₃) ₀ꓸ₈₇₅ (MAPbBr₃) ₀ꓸ₁₂₅: an ab initio molecular dynamics study | Eduardo Menéndez-Proupin Shivani Grover Ana L Montero-Alejo Scott D Midgley Keith T Butler | 2022 | |
Local Structural Distortions and Reduced Thermal Conductivity in Ge-Substituted Chalcopyrite | Journal of Materials Chemistry A | Sahil Tippireddy Feridoon Azough Vikram Vikram Animesh Bhui Philip A Chater | 2022/10 |
Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab-initio molecular dynamics study | Journal of Materials Chemistry A | Eduardo Menéndez-Proupin Shivani Grover Ana L Montero-Alejo Scott Midgley Keith Butler | 2022/3/23 |
Co-Authors
