José Javier Plata Ramos
Telefono: 955421002(ext.40121)
Email: Solicitar correo
Perfil en ORCID: 0000-0002-0859-0450
Perfil en WOS: D-4096-2011
Perfil en Scopus: 35171152300

Grupo de Investigación: Química Teórica
Departamento/Unidad: Química Física
Situación profesional: Profesor Titular de Universidad

Responsable de los siguientes proyectos/ayudas en la US:

• Proyecto de investigación:
  • Predicción de propiedades termodinámicas para el descubrimiento y optimización de materiales termoeléctricos, combinando química computacional y aprendizaje automático (PID2022-138063OB-I00)
  • Búsqueda y optimización de la eficiencia termoeléctrica de escuteruditas usando bases de datos, entornos de alto rendimiento, simulaciones atomísticas y aprendizaje automático (TED2021-130874B-I00)
  • Diseño y Modelización Computacional de Materiales Termoeléctricos Basados en Calcogenuros y Oxicalcogenuros Metálicos (PID2019-106871GB-I00)
  
  

Participa en los siguientes proyectos/ayudas en la US:

• Proyecto de investigación:
  • Simulación de Catalizadores: Nanopartículas de Metales y Óxidos Metálicos Depositadas en un Soporte: Estructura, Propiedades Electrónicas y Actividad Catalítica. (MAT2012-31526 - Investigador)
  • Celdas Solares con Sensibilizador: Propiedades Electrónicas de Nanoestructuras de Sulfuros Metálicos Utilizados Como Captores de Energía (Qdsc). (P12-FQM-1595 - Investigador)
  • Simulación de catalizadores, reactividad de superficies de TiO2 y SnO2 dopadas con C, N y Sb, interfases metal/soporte, y propiedades electrónicas de sistemas de tipo colorante/soporte (MAT2008-04918 - Contratado)
  • Celdas Solares con Sensibilizador: Simulación de la Estructura de la Interfase Electrolito/Semiconductor (P08-FQM-03661 - Investigador)
  • Simulación de catalizadores: metales soportados en óxidos de aluminio, titanio y cerio (MAT2005-01872 - Contratado)
  
  
• Contrato con empresas (Arts. 68/83 LOU):
  • Aplicación de Química computacional a Procesos catalíticos de Epoxidación. (1735/0638 - Investigador)
  
  
• Ayuda a la investigación:
  • Incentivo al Grupo de Investigación FQM-132 (2017/FQM-132 - Investigador)
  • Incentivo al Grupo de Investigación FQM-132 (2011/FQM-132 - Investigador)
  • Incentivo al Grupo de Investigación FQM-132 (2010/FQM-132 - Investigador)
  • Ayuda a la Consolidación del Grupo de Investigación FQM-132 (2009/FQM-132 - Investigador)
  
  

Cobertura de la base de datos de proyectos, véase aqui

Publicaciones:

Capítulos en Libros

Lebrón Romero, José Antonio, Plata Ramos, José Javier, Lopez Cornejo, María del Pilar, Moyá Morán, María Luisa:
Nuevas Perspectivas en el Desarrollo de Podcasts Como una Herramienta de Aprendizaje en la Universidad de Sevilla. Pag. 1046-1054. En: Enseñanza e innovación educativa en el ámbito universitario. Dykinson. 2024. ISBN 978-84-1070-018-5

Plata Ramos, José Javier, Nath, Pinku, Fdez. Sanz, Javier, Márquez Cruz, Antonio M.:
In silico modeling of inorganic thermoelectric materials. Pag. 446-460. En: Comprehensive Inorganic Chemistry III. Elsevier Ltd. 2023. ISBN 978-0-12-823153-1

Antunes, Luis M., Vikram, Vikram, Plata Ramos, José Javier, Powell, Anthony V., Butler, Keith T., et. al.:
Machine learning approaches for accelerating the discovery of thermoelectric materials. Pag. 1-32. En: Machine Learning in Materials Informatics: Methods and Applications. Acs Symposium Series. 2022. ISBN ¿9780841297630

Toher, Cormac, Oses, Corey, Hicks, David, Plata Ramos, José Javier, Curtarolo, Stefano:
The AFLOW Fleet for Materials Discovery. Pag. 1-28. En: Handbook of Materials Modeling. Springer, Cham. 2020. ISBN 978-3-319-42913-7

Amaya Suarez, Javier, Remesal, Elena R., Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Computational modeling of carbon dioxide catalytic conversion. Pag. 620-640. En: Engineering Solutions for CO2 Conversion. Weinheim, Germany. Wiley-Vch Verlag Gmbh & Co. Kgaa,. 2020. ISBN 9783527346394

Publicaciones en Revistas

Santana Andreo, Julia, Márquez Cruz, Antonio M., Plata Ramos, José Javier, Blancas, Ernesto J., González Sánchez, José Luis, et. al.:
High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the ZT of Binary Skutterudites. En: ACS Applied Materials and Interfaces. 2024. Vol. 16. Núm. 4. Pag. 4606-4617. https://doi.org/10.1021/acsami.3c15741

Posligua, Victor, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier, Grau, Ricardo:
Theoretical Investigation of the Lattice Thermal Conductivities of II¿IV¿V2 Pnictide Semiconductors. En: ACS Applied Electronic Materials. 2024. Vol. 6. Núm. 5. Pag. 2951-2959. 10.1021/acsaelm.3c01242

Plata Ramos, José Javier, Blancas, Ernesto J, Márquez Cruz, Antonio M., Posligua, Victor, Fdez. Sanz, Javier, et. al.:
Harnessing the unusually strong improvement of thermoelectric performance of AgInTe 2 with nanostructuring. En: Journal of Materials Chemistry A. 2023. Vol. 31. Núm. 11. Pag. 16734-16742. 10.1039/D3ta02055j

Morales González, Julia, Plata Ramos, José Javier, Lebrón Romero, José Antonio, Ostos Marcos, Francisco José:
El podcast como una herramienta docente innovadora en la transferencia del conocimiento en la Universidad de Sevilla. En: RESCIFAR: Revista Española de Ciencias Farmacéuticas. 2023. Vol. 4. Núm. 1. Pag. 138-145

Blancas, Ernesto J., Plata Ramos, José Javier, Santana, Julia, Lemus Prieto, Felipe, Márquez Cruz, Antonio M., et. al.:
Unraveling the role of chemical composition in the lattice thermal conductivity of oxychalcogenides as thermoelectric materials. En: Journal of Materials Chemistry A. 2022. Vol. 10. Núm. 37. Pag. 19941-19952. 10.1039/D2ta02180c

Plata Ramos, José Javier, Posligua, Victor, Márquez Cruz, Antonio M., Fdez. Sanz, Javier, Grau, Ricardo:
Charting the Lattice Thermal Conductivities of I¿III¿VI2 Chalcopyrite Semiconductors. En: Chemistry of Materials. 2022. Vol. 34. Núm. 6. Pag. 2833-2841. 10.1021/acs.chemmater.2c00336

Amaya Suarez, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Catalytic activity of PtCu intermetallic compound for CO oxidation: a theoretical insight. En: Catalysis Today. 2022. Vol. 383. Pag. 339-344. https://doi.org/10.1016/j.cattod.2020.12.007

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
High-Throughput Screening of the Thermoelastic Properties of Ultrahigh-Temperature Ceramics. En: ACS Applied Materials and Interfaces. 2021. Vol. 13. Núm. 25. Pag. 29843-29857. https://doi.org/10.1021/acsami.1c08832

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Cuesta López, Santiago, Fdez. Sanz, Javier:
Connecting experimental synthetic variables with the microstructure and electronic properties of doped ferroelectric perovskites for solar cell applications using high-throughput frameworks. En: Acta Materialia. 2021. Vol. 204. Núm. 1. 10.1016/j.actamat.2020.11.008

Plata Ramos, José Javier, Remesal, Elena R., Graciani, Jesus, Márquez Cruz, Antonio M., Rodríguez, Jose A., et. al.:
Understanding the Photocatalytic Properties of Pt/CeOx/TiO2: Structural Effects on Electronic and Optical Properties. En: Chemphyschem. 2019. Vol. 20. Pag. 1624-1629. 10.1002/cphc.201900141

Plata Ramos, José Javier, Amaya Suarez, Javier, Cuesta, Santiago, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Photo-sensitizing thin-film ferroelectric oxides using materials databases and high-throughput calculations. En: Journal of Materials Chemistry A. 2019. Vol. 7. Núm. 48. Pag. 27323-27333. 10.1039/C9ta11820a

Usanmaz, Demet, Nath, Pinku, Toher, Cormac, Plata Ramos, José Javier, Fiedrich, Rico, et. al.:
Spinodal superlattices of topological insulators. En: Chemistry of Materials. 2018. Vol. 30. Núm. 7. Pag. 2331-2340. https://doi.org/10.1021/acs.chemmater.7b05299

Plata Ramos, José Javier, Pacheco, Laura C., Remesal, Elena R., Masa, Maria O., Vega, Luis, et. al.:
Analysis of the variables that modify the robustness of Ti-SiO2 catalysts for alkene epoxidation: Role of silylation, deactivation and potential solutions. En: Molecular Catalysis. 2018. Vol. 459. Pag. 55-60. https://doi.org/10.1016/j.mcat.2018.08.010

Plata Ramos, José Javier, Amaya Suarez, Javier, Márquez Cruz, Antonio M., Odriozola Gordon, José Antonio, Fdez. Sanz, Javier:
Improving the activity of gold nanoparticles of the water-gas shift reaction using TiO2-Y2O3: an example of catalyst design. En: Physical Chemistry Chemical Physics. 2018. Vol. 20. Pag. 22076-22083

Toher, Cormac, Oses, Corey, Plata Ramos, José Javier, Hicks, David, Rose, Frisco, et. al.:
Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids Authors. 2017. Vol. 1. Núm. 1. https://doi.org/10.1103/PhysRevMaterials.1.015401

Toher, Cormac, Oses, Corey, Plata Ramos, José Javier, Hicks, David, Rose, Frisco, et. al.:
Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids. En: Physical Review Materials. 2017. Vol. 1. https://doi.org/10.1103/PhysRevMaterials.1.015401

Plata Ramos, José Javier, Nath, Pinku, Usanmaz, Demet, Carrete, Jesús, Toher, Cormac, et. al.:
An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW-AAPL Automatic Anharmonic Phonon Library. En: Npj Computational Materials. 2017. Vol. 3. Núm. 1. ttps://doi.org/10.1038/s41524-017-0046-7

Amaya Suarez, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Ag2S Quantum Dot-Sensitized Solar Cells by First Principles: The Effect of Capping Ligands and Linkers. En: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 2017. Vol. 121. Pag. 7290-7296. 10.1021/acs.jpca.7b07731

Amaya Suarez, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells. En: Physical Chemistry Chemical Physics. 2017. Vol. 19. Núm. 22. Pag. 14580-14587. 10.1039/C7cp01076a

Nath, Pinku, Plata Ramos, José Javier, Usanmaz, Demet, Toher, Cormac, Fornari, Marco, et. al.:
High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity. En: Scripta Materialia. 2017. Vol. 129. Pag. 88-93. 10.1016/j.scriptamat.2016.09.034

Usanmaz, Demet, Nath, Pinku, Plata Ramos, José Javier, Hart, Gus, Takeuchi, Ichiro, et. al.:
First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides. En: Physical Chemistry Chemical Physics. 2016. Vol. 18. Pag. 5005-5011

Plata Ramos, José Javier, Graciani Alonso, Jesus, Evans, Jaime, Rodriguez, Jose A., Fdez. Sanz, Javier:
Cu Deposited on CeOx-Modified TiO2(110): Synergistic Effects at the Metal¿Oxide Interface and the Mechanism of the WGS Reaction. En: ACS Catalysis. 2016. Vol. 6. Pag. 4608-4615. 10.1021/acscatal.6b00948

Nath, Pinku, Plata Ramos, José Javier, Usanmaz, Demet, Al Rahal al Orabi, Rabih, Fornari, Marco, et. al.:
High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation. En: Computational Materials Science. 2016. Vol. 125. Pag. 82-91. 10.1016/j.commatsci.2016.07.043

Amaya Suarez, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Structural electronic and optical properties of copper, silver and gold sulfide: a DFT study. En: Theoretical Chemistry Accounts. 2016. Vol. 135. Núm. 70. 10.1007/s00214-016-1832-x

Calderon, Camilo, Plata Ramos, José Javier, Toher, Cormac, Oses, Corey, Levy, Ohad, et. al.:
The AFLOW standard for high-throughput materials science calculations. En: Computational Materials Science. 2015. Vol. 108. Pag. 233-238. 10.1016/j.commatsci.2015.07.019

De Jong, Marteen, Plata Ramos, José Javier, Asta, Mark:
Charting the complete elastic properties of inorganic crystalline compounds. 2015. Vol. 2. 10.1038/sdata.2015.9

Toher, Cormac, Plata Ramos, José Javier, Levy, Ohad, De Jong, Marteen, Buogiorno Nardelli, Marco, et. al.:
High-throughput computational screening of thermal conductivity, Debye temperature, and Gruneisen parameter using a quasiharmonic Debye model. En: Physical Review B: Covering Condensed Matter and Materials Physics. 2014. Vol. 90

Romero Sarria, Francisca, Plata Ramos, José Javier, Laguna Espitia, Oscar Hernando, Márquez Cruz, Antonio M., Centeno Gallego, Miguel Angel, et. al.:
Surface oxygen vacancies in gold based catalysts for CO oxidation. En: RSC Advances. 2014. Vol. 4. Pag. 13145-13152. 10.1039/c3ra46662k

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Fdez. Sanz, Javier:
Understanding the Interplay of Dopants, Interfaces, and Anionic Conductivity in Doped Ceria/Zirconia Heteroepitaxial Structures. 2014. Vol. 26. Núm. 11. Pag. 3385-3390. 10.1021/cm500415h

Plata Ramos, José Javier, Heitz, Marie Catherine, Spiegelman, Fernand:
Effect of structure and size on the excited states dynamics of CaArn clusters. En: European Physical Journal D. Atomic, Molecular, Optical and Plasma Physics. 2013. Vol. 67. 10.1140/epjd/e2012-30522-5

Johnston Peck, Aaron C., Senanayake, Sanjaya D., Plata Ramos, José Javier, Kundu, Shankhamala, Xu, Wenqian, et. al.:
Nature of the Mixed-Oxide Interface in Ceria-Titania Catalysts: Clusters, Chains, and Nanoparticles. En: The Journal of Physical Chemistry C. 2013. Vol. 117. Núm. 28. Pag. 14463-14471. 10.1021/jp3125268

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Transport porperties in CeO2 (111) Surface: Form Charge Distribution to Ion-Electron Collaborative Migration. En: The Journal of Physical Chemistry B. 2013. Vol. 117. Núm. 48. Pag. 25497-25503. 10.1021/jp4066532

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Fdez. Sanz, Javier:
Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study. En: The Journal of Physical Chemistry B. 2013. Vol. 117. Núm. 28. Pag. 14502-14509. 10.1021/jp402594x

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surface. En: Theoretical Chemistry Accounts. 2013. Vol. 132. 10.1007/s00214-012-1311-y

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Fdez. Sanz, Javier, Kubacka, Anna, et. al.:
Making Photo-selective TiO2 Materials by Cation-Anion Codoping: From Strucutre and Electronic Properties to Photoactivity. En: The Journal of Physical Chemistry C. 2012. Vol. 116. Núm. 35. Pag. 18759-18767. 10.1021/jp3045143

Plata Ramos, José Javier, Ruiz Tagle Gutiérrez, Igor Alberto, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Ceria(100) Nanotubes with Negative Strain Energy: A First-Principles Prediction. En: The Journal of Physical Chemistry Letters. 2012. Vol. 3. 10.1021/jz300731n

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons. En: The Journal of Chemical Physics. 2012. Vol. 136. Núm. 4. Pag. 041101-041105. 10.1063/1.3678309

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Fdez. Sanz, Javier:
Structural Defects in W-Doped Tio2 (101) Anatase Surface: Density Functional Study. En: The Journal of Physical Chemistry C. 2011. Vol. 115. Núm. 34. Pag. 16970-16976

Plata Ramos, José Javier, Collico, Veronica, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Understanding Acetaldehyde Thermal Chemistry on the Tio2 (110) Rutile Surface: from Adsorption to Reactivity. En: The Journal of Physical Chemistry C. 2011. Vol. 115. Pag. 2819-2825

Graciani Alonso, Jesus, Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Cruz Hernández, Norge, et. al.:
Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: the Case of Ceo2 and Ce2o3. En: Journal of Chemical Theory and Computation. 2011. Vol. 7. Pag. 56-65

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier, Sánchez Avellaneda, Rafael, Dominguez Leal, Maria Isabel, et. al.:
Gold Nanoparticles on Yttrium Modified Titania: Support Properties and Catalytic Activity. En: Topics in Catalysis. 2011. Vol. 54. Pag. 219-228

Graciani Alonso, Jesus, Plata Ramos, José Javier, Liu, Ping, Rodríguez, José a, Fdez. Sanz, Javier:
A Theoretical Insight Into the Catalytic Effect of a Mixed-Metal Oxide At the Nanometer Level: the Case of the Highly Active Metal/Ceox/Tio2(110) Catalysts. En: The Journal of Chemical Physics. 2010. Vol. 132. Pag. 104703-1-104703-8

Plata Ramos, José Javier, Feliu, Maseras, Lopez, Nuria, García Mota, Mónica, Braga, Ataualpa A. C.:
Vinyl Acetate Synthesis on Homogeneous and Heterogeneous PD-Based Catalysts: a Theoretical Analysis on the Reaction Mechanisms. En: Journal of physical chemistry (1952). 2009. Vol. 113. Núm. 43. Pag. 11758-11762

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Role of Coverage and Surface Oxidation Degree in the Adsorption of Acetone on Tio2 (110). a Density Functional Study. En: The Journal of Physical Chemistry C. 2009. Vol. 113. Núm. 46. Pag. 19973-19980

Aportaciones a Congresos

Posligua, Victor, Márquez Cruz, Antonio M., Plata Ramos, José Javier, Fdez. Sanz, Javier, Grau Crespo, Ricardo:
Unravelling the role of chemical composition in the thermal transport properties of I-III-VI2 chalcopyrites semiconductors. Sesión no plenaria en Congreso. CMD30 FisMat 2023. Milán (Italia). 2023

Márquez Cruz, Antonio M., Blancas, Ernesto J., Lobato, Álvaro, Plata Ramos, José Javier, Otero de la Roza, Alberto, et. al.:
Tunning the thermal conductivity of filled skutterudites by pressure. Sesión no plenaria en Congreso. CMD30 FisMat 2023. Milán (Italia). 2023

Plata Ramos, José Javier, Blancas, Ernesto J., Márquez Cruz, Antonio M., Posligua, Victor, Fdez. Sanz, Javier, et. al.:
High-throughput optimization of the thermoelectric efficiency of chalcogenides through nano-structuring: ab-initio calculations, machine learning and more. Sesión plenaria en Congreso. 3rd Iberian Thermoeletric Workshop ITW-2023. Campus Tecnológico e Nuclear of IST-UL, Lisbon, Portugal. 2023

Remesal, Elena R., Márquez Cruz, Antonio M., Blancas, Ernesto, Posligua, Victor, Plata Ramos, José Javier, et. al.:
Modelling the lattice thermal conductivity of skutterudites: ab¿initio calculations, machine learning and more. Poster en Congreso. 19th EUROPEAN CONFERENCE ON THERMOELECTRICS. Praga. 2023

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Blancas, Ernesto J, Posligua, Victor, Grau, Ricardo, et. al.:
High¿throughput and accurate prediction of the thermal and electron transport properties of large chemical spaces accelerated by machine learning. Poster en Congreso. 19th EUROPEAN CONFERENCE ON THERMOELECTRICS. Praga. 2023

Posligua, Victor, Remesal, Elena R., Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
High-throughput screening of thermoelectric materials by machine learning. Sesión plenaria en Congreso. Químicos Teóricos Expresión Latina. , - Montevideo, Uruguay. 2023

Lobato, Álvaro, Blancas, Ernesto, Izquierdo Ruiz, Fernando, Márquez Cruz, Antonio M., Otero de la Roza, Alberto, et. al.:
Enhancing thermoelectric power in skutterudites by tuning chemical interactions under pressure. Conferencia Congreso no publicada. 28th AIRAPT and 60th EHPRG. Edimburgo (Reino Unido). 2023

Morales González, Julia, Plata Ramos, José Javier, Lebrón Romero, José Antonio, Ostos Marcos, Francisco José:
El Podcast Como una Herramienta Docente Innovadora en la Transferencia del Conocimiento en la Universidad de Sevilla. Comunicación en Jornada. I Jornada Innovación Docente Facultad de Farmacia-RADIF. Facultad de Farmacia, Universidad de Sevilla. 2023

Márquez Cruz, Antonio M., Caro Campos, Irene, Plata Ramos, José Javier, Fdez. Sanz, Javier:
Physical Insights on the Chemical Factors that Influence the Thermoelectric Properties in Cu- and Ag-based Sulvanites. Sesión plenaria en Congreso. 3rd Iberian Thermoeletric Workshop (ITW-2023). Campus Tecnológico e Nuclear of IST-UL. 2023

Santana, Julia, Blancas, Ernesto, Márquez Cruz, Antonio M., Plata Ramos, José Javier, Fdez. Sanz, Javier:
Exploring the properties of thermoelectric materials from high-throughput computations. Sesión plenaria en Congreso. Zcam-Aseva Metal-Oxide Ultrathin Films and Nanostructures. Zaragoza. 2022

Blancas, Ernesto, Santana, Julia, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
High-throughput screening of thermoelectric materials by machine learning. Sesión plenaria en Congreso. XX MRS Meeting. Foz Iguazú (Brasil). 2022

Santana, Julia, Blancas, Ernesto J., Plata Ramos, José Javier, Fdez. Sanz, Javier, Márquez Cruz, Antonio M.:
Accelerated Screening of the Thermoelectric Efficiency of Skutterudites by Machine Learning. Poster en Congreso. 12th Congress on Electronic Structure: Principles and Applications. Vigo. 2022

Plata Ramos, José Javier, Blancas, Ernesto, Santana, Julia, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Exploring the role of chemical composition in the lattice thermal conductivity of thermoelectric materials assisted by machine learning. Sesión plenaria en Congreso. 12th Congress on Electronic Structure: Principles and Applications. Vigo. 2022

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Amaya Suarez, Javier, Fdez. Sanz, Javier:
A combinatorial approach for the study of disordered photo sensitized ferroelectric materials. Sesión no plenaria en Congreso. 3rd International Conference on Applied Surface Science. Pisa, Italia. 2019

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Amaya Suarez, Javier, Fdez. Sanz, Javier:
A combinatorial approach for the study of disordered photosensitized ferroelectric materials. Ponencia en Congreso. 50 Years of Quantum Chemistry in Strasbourg. Estrasburgo (Francia). 2019

Fdez. Sanz, Javier, Plata Ramos, José Javier, Graciani, Jesus, Remesal, Elena R.:
CeOx/TiO2 Nanostructured Interfaces as Highly Active Catalysts. Ponencia en Congreso. International Conference on Applied Catalysis and Chemical Engineering. Dubai, E.A.U. 2019

Plata Ramos, José Javier, Amaya Suarez, Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Combining material databases and high-throughput computing for the discovery of new photo-sensitized ferroelectric materials. Ponencia en Congreso. 14th International Conference on Materials Chemistry. Birmingham - Reino Unido. 2019

Plata Ramos, José Javier, Amaya Suarez, Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Photo-sensitizing ferroelectric oxides using materials databases and high-throughput calculations. Ponencia en Congreso. Theoretical Chemistry and Computational Modeling: 20 years promoting Excellence in Science. San Sebastian. 2019

Amaya Suarez, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Combining high-throughput and high-performance computing for the discovery of new photo-sensitized ferroelectric structures. Ponencia en Congreso. IUMRS-ICAM International Conference on Advanced Materials. Niza, Francia. 2019

Amaya Suarez, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Design of Epitaxially Grown Ferroelectric Perovksite Photosensitizers from High-Throughput Computations. Comunicación en congreso. The 17th International Conference on the Formation of Semiconductor Interfaces. Shanghai, China. 2019

Amaya Suarez, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
High-throughput search of substrates for the discovery of new epitaxy photo-sensitized ferroelectric structures. Comunicación en congreso. 3rd International Conference on Applied Surface Science. Pisa, Italia. 2019

Amaya Suarez, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Optoelectronic properties of copper sulfide nanoparticles. Poster en Congreso. 10th Congress on Electronic Structure: Principles and Applications. Castellón (España). 2016

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Fdez. Sanz, Javier:
Understanding the Interplay of Dopants, Interfaces and Anionic Conductivity in Doped Ceria/Zirconia Heteroepitaxial Structures. Comunicación en congreso. 9th Congress on Electronic Structure Principles and Applications. Badajoz (Badajoz). 2014

Fdez. Sanz, Javier, Feria Hernandez, Leticia, Graciani Alonso, Jesus, Plata Ramos, José Javier, Rodriguez, Jose Antonio:
Mechanism of the Water-Gas Shift Reaction at the Metal-Oxide Interface: Insights from first principles calculations. Ponencia en Congreso. Congress of International Society of Theoretical Chemical Physics. Budapest. 2013

Fdez. Sanz, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M.:
Charge Transport at CeO2 Interfaces: Electron Mobility and Oxygen Ion Migration. Sesión plenaria en Congreso. Workshop on QUANTUM SYSTEMS IN CHEMISTRY, PHYSICS, AND BIOLOGY. Paraty, Rio de Janeiro, Brazil. 2013

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Fdez. Sanz, Javier, Colon Ibañez, Gerardo, et. al.:
Diseño de materiales fotocatalíticos basados en TiO2 mediante codopado anión-catión: una aproximación multidisciplinar. Comunicación en congreso. SECAT'13 Catalizadores y Reactores Estructurados. 2013

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Gold Adsorption in New 1D Ceria Materials: from atomistic to Nanoscale Models. Poster en Congreso. Reunión Ibérica de Adsorción Sevilla. Ria 201. 2012

Fdez. Sanz, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Ruiz Tagle, Igor:
Ceria (100) Nanotubes with Negative Strain Energy: A First-Principles Prediction. Poster en Congreso. Electronic Structure: Principles and Applications (Barcelona 2012). 2012

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Fdez. Sanz, Javier, Colon Ibañez, Gerardo:
Making Photo-selective TiO2 mateials by cation-anion codoping: from structure and electronic properties to photoactivity. Poster en Congreso. Electronic Structure: Principles and Applications (Barcelona 2012). 2012

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Transport properties in CeO2: From electron transfer to ion-electron coupling. Poster en Congreso. Electronic Structure Principles and applications 2012. 2012

Fdez. Sanz, Javier, Graciani Alonso, Jesus, Plata Ramos, José Javier, Feria Hernandez, Leticia:
Mechanism of surface reactions: Insights from first principles calculations. Comunicación en congreso. COST REDOX General meeting 2012. Charles University, Praga (República Checa). 2012

Fdez. Sanz, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M.:
Charge Transport in CeO2: Electron Mobility via Polaron Hopping and Ion-electron Coupling. Ponencia en Congreso. Theory and Applications of Computational Chemistry. Pavia, Italia. 2012

Romero Sarria, Francisca, Plata Ramos, José Javier, Sánchez Avellaneda, Rafael, Márquez Cruz, Antonio M., Fdez. Sanz, Javier, et. al.:
Role des lacunes d'oxygène dans des catalyseurs d'or: dynamique de surface. Ponencia en Congreso. Rèunion plèniére du GDR OR-NANO. Poitiers (France). 2012

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Electronic Properties and Structure of 1d Ceria Materials: From Atomistic to Nanoscale Models. Poster en Congreso. Mini 2012. 2012

Graciani Alonso, Jesus, Plata Ramos, José Javier, Fdez. Sanz, Javier:
CATALYTIC EFFECTS OF THE NANO-MIXED-METAL OXIDES: THE Metal/CeOX/TiO2(110) WGS-CATALYSTS. Poster en Congreso. Understanding Structure and Functions of Reducible Oxide Systems - A Challenge for Theory and Experiment. Albarracin (Zaragoza). 2011

Fdez. Sanz, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M.:
Theoretical characterization of electron mobility via polaron hopping in strongly correlated systems: The case of bulk ceria. Comunicación en congreso. Understanding Structure and Functions of Reducible Oxide Systems - A Challenge for Theory and Experiment. 2011

Fdez. Sanz, Javier, Graciani Alonso, Jesus, Plata Ramos, José Javier:
Mechanism of the Water-Gas Shift Reaction: Insights from First Principles Calculations. Comunicación en congreso. Watoc2011. . Santiago de Compostela. 2011

Park, Joon B., Evans, Jaime, Plata Ramos, José Javier, Stacchiola, Dario, Fdez. Sanz, Javier, et. al.:
CATALYTIC EFFECTS OF THE NANO-MIXED-METAL OXIDES: THE Metal/CeOX/TiO2(110) WGS-CATALYSTS. Poster en Congreso. Understanding Structure and Functions of Reducible Oxide Systems- A Challenge for Theory and Experiment. 2011

Park, Joon B., Evans, Jaime, Plata Ramos, José Javier, Stacchiola, Dario, Fdez. Sanz, Javier, et. al.:
CATALYTIC EFFECTS OF THE NANO-MIXED-METAL OXIDES: THE Metal/CeOX/TiO2(110) WGS-CATALYSTS. Poster en Congreso. Understanding Structure and Functions of Reducible Oxide Systems- A Challenge for Theory and Experiment. Albarracin (Zaragoza). 2011

Plata Ramos, José Javier, Ruiz Tagle Gutiérrez, Igor Alberto, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Electronic Properties and Structure of 1d Ceria Materials: from Atomistic to Nanoscale Models. Poster en Congreso. Watoc 2011. Santiago de Compostela. 2011. Watoc 2011. 151. 151

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Collico, Veronica, Fdez. Sanz, Javier:
Understanding Acetaldehyde Thermal Chemistry on the Tio2 (110) Rutile Surface: from Adsorption to Reactivity. Conferencia Congreso no publicada. Watoc 2011. Santiago de Compostela. 2011. Watoc 2011. 1. 1

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Gold Nanoparticles on y Modified Tio2: from Structure and Electronic Properties to Reactivity. Poster en Congreso. Electronic Structure Principles and Applications. Oviedo. 2010. Electronic Structure Principles and Applications. 139. 139

Ortega García, Yanaris, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Cruz Hernández, Norge, Fdez. Sanz, Javier:
Origin of Photoactivity and Selectivity of W-,N-Codoping Tio2. Poster en Congreso. Electronic Structure Principles and Applications. Oviedo. 2010. Electronic Structure Principles and Applications. 132. 132

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
Role of Coverage and Surface Oxidation Degree in the Adsorption of Acetone on Tio2 (110). a Density Functional Study. Poster en Congreso. Electronic Structure Principles and Applications. Oviedo. 2010. Electronic Structure Principles and Applications. 125. 125

Fdez. Sanz, Javier, Graciani Alonso, Jesus, Plata Ramos, José Javier, Rodríguez, José a:
High Water-Gas Shift Activity of CU, Au and Pt Dispersed on Ceox/Tio2(110): the Nature of the Mixed-Metal Oxide At the Nanometer Level. Comunicación en congreso. International Conference on Theoretical Aspects of Catalysis. Japan. 2010. 13th International Conference on Theoretical Aspects of Catalysis. 15. 15

Fdez. Sanz, Javier, Graciani Alonso, Jesus, Plata Ramos, José Javier, Liu, Ping, Rodríguez, José a:
CU, Au and Pt Dispersed on Ceox/Tio2(110): Highly Active Catalysts for Water-Gas Shift. Comunicación en congreso. Pacifichem 2010. Hawaii, USA. 2010. 2010 International Chemical Congress of Pacific Basin Societies. 210. 210

Graciani Alonso, Jesus, Park, Joon B., Evans, Jaime, Plata Ramos, José Javier, Stacchiola, Dario, et. al.:
Outstanding Catalytic Effect of a Mixed-Metal Oxide At the Nanometer Level: the M/Ceox/Tio2(110) Catalysts. Comunicación en congreso. Ceria 2010. Workshop on Cerium Oxide. Modena, Italia. 2010. Ceria 2010. 21. 21

Graciani Alonso, Jesus, Park, Joon B., Evans, Jaime, Plata Ramos, José Javier, Stacchiola, Dario, et. al.:
The Catalytic Effect of a Mixed-Metal Oxide At the Nanometer Level: a Combined Experimental-Theoretical Study on the Highly Active M/Ceox/Tio2(110) Catalysts. Poster en Congreso. Electronic Structure Principles and Applications Espa 2010. Oviedo, Spain. 2010. Electronic Structure Principles and Applications Espa 2010. 98. 98

Graciani Alonso, Jesus, Park, Joon B., Evans, Jaime, Plata Ramos, José Javier, Stacchiola, Dario, et. al.:
A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: The case of the highly active metal/CeOx /TiO2(110) catalysts. Poster en Congreso. Titania for All Seasons: Multifunctionality of an Undercover Semiconductor. Bremen, Alemania. 2010. Titania for All Seasons: Multifunctionality of an Undercover Semiconductor. 15. 15

Márquez Cruz, Antonio M., Fdez. Sanz, Javier, Plata Ramos, José Javier:
Modelling the Reactivity At Solid Surfaces: a Workflow Scenario. Conferencia Congreso no publicada. Cost D37 - Joint Working Group and Management Comitee Meeting. Praga (República Checa). 2009. Cost D37 - Joint Working Group and Management Comitee Meeting. 0. 0

Márquez Cruz, Antonio M., Fdez. Sanz, Javier, Plata Ramos, José Javier:
Gold Nanoparticles on y Modified Tio2: a Case for Data Mining. Comunicación en congreso. Cost D37 Working Group Wg05 Meeting - Cambridge. Cambridge, Reino Unido. 2009. Cost D37 Working Group Wg05 Meeting - Cambridge (UK). 0. 0

Centeno Gallego, Miguel Angel, Sánchez Avellaneda, Rafael, Romero Sarria, Francisca, Dominguez Leal, Maria Isabel, Plata Ramos, José Javier, et. al.:
Molecular Dynamics Simulation Study of Gold Interaction With Modified Tio2 Surfaces. Poster en Congreso. Gold 2009. the International Conference on Gold Science, Technology and Its Applications. Heidelberg, Alemania. 2009. The 5th International Conference on Gold Science, Technology and Its Applications. 320. 320

Márquez Cruz, Antonio M., Fdez. Sanz, Javier, Plata Ramos, José Javier:
Adsorption of Acetone on Tio2. Comunicación en congreso. Jornadas Ibéricas de Supercomputación. 2009. Jornadas Ibéricas de Supercomputación. 2. 2

Plata Ramos, José Javier, Ortega García, Yanaris, Cruz Hernández, Norge, Márquez Cruz, Antonio M., Fdez. Sanz, Javier:
W-, N-Codoped Tio2: a Density Functional Theory Insight Into Its Structure and Photocatalytic Properties. Poster en Congreso. 3rd Meeting on High Performance Computing in Molecular Simulation. Madrid (Spain). 2009. 3rd Meeting on High Performance Computing in Molecular Simulation. 38. 38

Márquez Cruz, Antonio M., Fdez. Sanz, Javier, Plata Ramos, José Javier:
Gold Particles on y Modified Tio2: a Computational Study. Conferencia Congreso no publicada. 3rd Meeting on High Performance Computing in Molecular Simulation. Madrid (Spain). 2009. 3rd Meeting on High Performance Computing in Molecular Simulation. 32. 32

Graciani Alonso, Jesus, Plata Ramos, José Javier, Rodriguez, Jose A., Evans, Jaime, Yang, Fan, et. al.:
Water Gas Shift Reaction on a Highly Active Inverse Ceox/CU(111) Catalyst: Unique Role of Ceria Nanoparticles. Poster en Congreso. Computer Simulation of Oxides: Dopants, Defects and Surfaces. Trinity College, Dublin, Irlanda. 2009. Computer Simulation of Oxides Workshop. 42. 42

Márquez Cruz, Antonio M., Fdez. Sanz, Javier, Plata Ramos, José Javier:
Acetone Adsorption on Rutile Tio2 (110) Surface from First Principles Calculations. Comunicación en congreso. Ccwf: Computational Chemistry Workflows. Berlin, Alemania. 2008. Cost D37 - Ccwf. 0. 0

Otra participación en Otras Publicaciones

Remesal, Elena R. (Autor/a), Plata Ramos, José Javier (Coeditor/a), Márquez Cruz, Antonio M. (Coeditor/a), Fdez. Sanz, Javier (Coeditor/a):
XI International Workshop on Oxide Surfaces abstract book. Otras Publicaciones. 2018. Inglés