Ana Martin Calvo

 amarcal@upo.es

Molecular Simulation of Porous Materials for Environmental and Technological Applications

I perform classical simulations (Monte Carlo and Molecular Dynamics) to study at molecular level the adsorption and diffusion properties of gases and liquids in nanoporous materials (zeolites and MOFs), with the aim of understanding and improving processes with environmental and technological impact, such as water desalination, removal of contaminants, or hydrogen purification, among others.

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Juan Antonio Anta Montalvo

 jaantmon@upo.es

Fundamental studies of nanomaterials for solar cells and photoconversion processes.

In the group of nanomaterials for photoconversion at the Pablo de Olavide University, we like to experiment. We tend to do this carefully and gently, so we always use a small disturbance. This disturbance can be a slight optical flicker, of different colors, or an electrical spark. We can do it both at a pleasant room temperature and at several tens of degrees below zero, both in total darkness and under intense lighting. Normally, the cells behave perfectly, although those metal-organic hybrid perovskite cells do not seem to resist our treatments as well. In any case, they always provide us with tasty information, in the form of resistances and capacitances, or in the form of kinetic constants of different types. Additionally, our doctors like to run simulations and design numerical models, to better understand their complicated behavior. We don't know if we do it better or worse, but what we are sure of is that we always do it with frequence and intensity

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Maria de la Menta Ballesteros Martin

 mmbalmar@upo.es

Nanomaterials for environmental applications

Valorization of agricultural and industrial by-products for the synthesis of nanomaterials and their application in the treatment of water contaminated with emerging compounds, antibiotic-resistant bacteria, pathogenic microorganisms, etc. using photocatalytic with sunlight as a source of energy as well as for the production of biodiesel

Said Hamad Gomez

 said@upo.es

Prediction of materials useful in energy generation processes

I am interested in the use of computational methods (quantum and classical) to develop new materials with applications in energy and the environment, mainly materials with applications in batteries, sensors, thermal storage, gas adsorption and catalysis to generate renewable fuels based on solar energy. Lately, I have focused on the application of machine learning methods.

Alejandro Cuetos Menendez

 acuemen@upo.es

Modelling and computer  simulation of complex fluids and soft condensed matter.

My research focuses on the simulation study of the structural, thermodynamic and kinetic properties of complex fluids and condensed soft matter. In particular, I focus on non-spherical particulate fluids and multicomponent systems of different particle shapes. My work over the years has included the development of models and simulation methods, and the systematic study of the properties of fluids capable of forming liquid crystal phases. In recent years I have opened up a new line of research involving the study of the evolution of bacterial colonies. Here I have taken advantage of my previous experience in elongated particle fluids, introducing as a new ingredient the growth and division of the particles, which now model cells. This work has led to interesting results on two- and three-dimensional microcolonies. Currently, using the tools developed, we continue to study the properties of developing bacterial collectivities.

Bruno Martínez Haya

 bmarhay@upo.es

Supramolecular Chemistry, Proton bonding, Biomolecular Mass Spectrometry

We are interested in molecular recognition, with a focus on proton-bonded systems, which we investigate in isolated benchmark systems by means of infrared ion spectroscopy with laser techniques. In addition, we apply high resolution mass spectrometry to a broad range of biomolecular problems in fields as diverse as biotechnology, environmental science or archaeology.

Gerko Oskam

 gosk@upo.es

Conversión de energía solar en electricidad, calor y combustibles limpios

We focus on two solar energy conversion systems: (i) solar cells based on abundant nanostructured and mesoporous materials either sensitized by dye or impregnated with hybrid perovskite; (ii) semiconductor metal oxides for solar photolysis of water for the generation of clean hydrogen fuel. For both systems, the research includes the combinatorial search and synthesis of novel materials, their characterization and application in conversion systems, and determination of their performance, with special emphasis on elucidation of process mechanisms. Based on the results from advanced characterization tools, such as electrochemical impedance spectroscopy (EIS) and intensity-modulated photocurrent spectroscopy (IMPS), we aim to design improvement methods. Applications of interest include indoor photovoltaics and scaling-up of screen-printed photovoltaic systems.

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Juan José Gutiérrez Sevillano

 jjgutierrez@upo.es

Classical simulation applied to the study of porous materials with applications of industrial, energy and environmental interest.

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José María Pedrosa Poyato

 jmpedpoy@upo.es

Organic Materials Engineering Group for environmental and biotechnological applications

Sensor Arrays using Luminescent Metal-Organic Frameworks for the Optical Detection of Explosive Vapours and Toxic Substances.  Guided Design and Growth of Luminescent Metal Organic Frameworks for the Development of Optical Gas Sensors.  Encapsulating agents based on the use of metal organic frameworks as new approaching to eradicate HIV, and other smart drug delivery. Development and optimisation of optical systems for analysis and QC in food and pharmaceutical industries

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Manuel Jesús López Baroni

 mjlopbar1@upo.es

Ethics of emerging technologies. Bioethics

I investigate the ethical and legal implications of so-called disruptive technologies: Nanotechnology; biotechnology, synthetic biology, neurotechnologies and Artificial Intelligence.

Sofia Calero Diaz

 scalero@upo.es

Modelling functional materials for renewable energy applications

Calero’s research involves the application of simulation to industrially relevant systems and the development of force fields, algorithms and simulation methods to reverse-engineer properties of materials.

Juan Rigoberto Tejedo Huamán

 jrtejhua@upo.es

Pancreatic beta-cell survival, design of advanced therapies for diabetes and development of point-on-care diagnostic systems for various diseases.

Ana Paula Zaderenko Partida

 apzadpar@upo.es

Nanoparticles for biomedical and environmental applications

Jan Paul Pistor

 ppis@upo.es

Emerging Photovotaics – Advanced Characterization and Device Optimization

Paul Pistor is dedicated to the research of emerging photovoltaic technologies – in search of efficient and sustainable materials that convert sunlight into electricity. In his research efforts, he tries to build a bridge between basic material researches and the industrial application of the technology. He has long experience in the preparation and optimization of thin film devices through dry, vacuum-based deposition techniques, the in situ characterization of their film formation and the correlation of structure-property relationships of growing and grown semiconductor films. His reseach is coupled to collaborations with industrial partners. Currently, he is mainly involved in the intelligent characterization and diagnostics of emerging thin film devices – from small laboratory cells to pre-industrial sub-modules.

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Tania Isabel Lopes da Costa

 tlopcos@upo.es

Porous materials for biomedical applciations

Our research is aimed at the design, synthesis and application of pororus materials for the encapsulation of drugs with biocompatible materials for delayed release.

Patrick Jacques Merkling

 pjmerx@upo.es

Computer simulation of nanoporous materials

We employ Molecular Dynamics strategies to investigate molecular absorption in porous nanmaterials, such as zeolites and MOFs

María del Pilar Ortiz Calderon

 mportcal@upo.es

Diagnostic of materials of historic heritage

Our group focuses on the application of advanced spectroscopy and electron microscopy techniques for the assessment of the composition and the state of conservation of materials of historic, cultral and art heritage.

Angel Rabdel Ruiz Salvador

 rruisal@upo.es

Development of tailored nanomaterials

We do research on low-dimensional semiconductors and nanoporous materials and their crystallochemical design, based on structural stability, electronic properties and interactions with host molecules. Wea re involved in collaborative projects for applications molecular separation, water and wastewater treatment, (photo)catalysis including artificial photosynthesis and in solid state batteries.

Salvador Rodriguez Gómez

 salrodgom@upo.es

Design, synthesis and characterization of crystalline (nanoporous) materials using molecular simulation techniques and experiments

David Rodriguez Lucena

 drodluc@upo.es

Sensor Arrays using Luminescent Metal-Organic Frameworks for the Optical Detection of Explosive Vapoursand Toxic Substances

Francisco Javier Garcia Moscoso

 fgarciamoscoso@gmail.com

Synthesis and characterization of fluorescent metal-organic frameworks (MOFs) deposited on polymeric membranes for the development of materials with sensing capacity.

Javier Roales Batanero

 jroabat@upo.es

Gas detection systems based on dyes. Colorimetric expiration indicator devices. Analysis of the quality of olive oil through the use of electronic olfaction systems.

Clara Patricia Aranda Alonso

 cparaalo@upo.es

Synthesis and Characterization of Wide bandgap Perovskite Photoconversion Devices

The Institute of Advanced Materials (INAM) (Castellón, Spain). She worked as postdoctoral researcher at the Forschungszentrum Jülich and Institute for Photovoltaics (ipv) at the University of Stuttgart (Germany) for two years. Then she moved to the Institute of Materials Science (ICMUV) at the University of Valencia (Spain) as a Margarita Salas fellow. Currently, she is working at Universidad Pablo de Olavide in Seville (Spain). Her work is focused on the synthesis and characterization of wide band gap perovskite materials, both in thin film and single crystal configuration, for photoconversion devices such as solar cells, photodetectors and memristors, using impedance spectroscopy as the main characterization tool.

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Renan Andrés Escalante Quijano

 raescqui1@upo.es

Third generation solar cells. Photoelectrochemical characterization by small perturbation impedance

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Álvaro Rodríguez Rivas

 arodriguezrivas@upo.es

Soft Matter and statistitical mechanics

Juan Carlos Exposito Galvez

 jcexpgal@upo.es

Patricia Sanchez Fernandez

 psanfer2@upo.es

Dye-sensitized solar cells and their limitations in indoor applications

My main line of research is based on the study of the behavior of dye-sensitized solar cells (DSC) in indoor lighting environments, when the light intensity is much lower than the standard conditions of 1 sun ( 100 mW/cm^2) and the emission spectra correspond to typical lighting sources for indoor spaces (LED lamps, fluorescent lamps; offices, workstations, common areas, public transport, etc.). One of the objectives of the study is to obtain a functional photovoltaic device at low light intensity that serves as a substitute prototype for small batteries in order to self-sustain "things on the internet", whose demand grows exponentially with the passage of time.

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Juan Jesús Romero Guerrero

 juanjesus.romero.guerrero@gmail.com

MOFs based devices for environmental and nanotechnology applications.

The research focuses on the development of devices based on metal-organic frameworks (MOFs) for environmental and nanotechnology applications. The study involves investigating the methods for combining or depositing MOFs onto different substrates to make these materials useful in research areas like chemical sensors, energy storage, CO2 reduction, or water splitting.

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Daniel Ruiz Alonso

 danielruiz.machado@gmail.com

Noelia Rodriguez Sanchez

 noeliarsanchez29898@gmail.com

Synthesis of nanomaterials for wastewater treatment

Synthesis and modifications of MOF for its application in the treatment of water with emerging contaminants and pathogens by heterogeneous photocatalysis

Mahmoud Nabil Hassan Mahmoud

 mnmah@upo.es

Third-generation solar cells and related nanomaterials

I am actively engaged in both the fabrication and characterization of perovskite solar cells, complemented by the synthesis and analysis of related nanomaterials.

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Beatriz Eugenia Heredia Cervera

 bherediac@gmail.com

Pablo Romero Llorente

 promllo@upo.es

Quantum Molecular Simulations and AI-Driven Force Field Prediction for Enhanced Solar Energy Conversion in Perovskites

We are going to combiante the computational capabilities of quantum molecular simulations with the predictive power of artificial intelligence (AI) to advance solar energy conversion technologies in perovskite materials. The methodology involves two primary components. Quantum Molecular Simulations: Utilize the Vienna Ab initio Simulation Package (VASP) to conduct quantum mechanical simulations of perovskite materials. These simulations will provide detailed insights into the atomic-level interactions and the electronic properties of perovskites, which are crucial for understanding and optimizing their photovoltaic properties. AI-Driven Force Field Prediction: Develop a neural network-based model to predict force fields in perovskite materials based on the data generated from quantum molecular simulations.