Dr. Eduardo Duque-Redondo

Graduated in Chemistry from the University of Valladolid (UVa) in 2012. Master in New Materials in 2013 between the University of the Basque Country (UPV/EHU) and the University of Cantabria (UC). PhD degree in Materials Science and Technology in 2017 from UPV/EHU. In 2021, postdoctoral stay (Basque Government program) for a two-year at Newcastle University under the supervision of Prof. Enrico Masoero. Currently postdoctoral researcher in the Physical Chemistry Department at UPV/EHU.

His research is focused on the computational simulation of a diverse array of materials, such as small organic molecules, polymers, and hybrid nanomaterials including clays, zeolites, and cementitious compounds. The simulations span multiple scales, from the atomic level to the mesoscale, using advanced computational techniques to provide insights into the structural, electronic, and dynamic properties of these complex systems. This work contributes to the development of new materials with enhanced performance and sustainability in various applications, potentially leading to innovations in fields such as photophysics, environmental remediation, and construction materials.

Teaching Experimental Physical Chemistry for the Chemistry and Physics degree programs at UPV/EHU. Supervision of several undergraduate theses in the field of computational material sciences. Reviewer of projects funded by the NCN (Poland) and various international journals in the areas of Materials Science, Physical Chemistry, and Multidisciplinary Chemistry. Dissemination activities include publications, conferences, meetings, workshops, and talks aimed at specialized audiences, as well as young people and the general public (Chemistry in Action, Faculty Open Day, the Week of Science, Euskampus Eguna).

Publications

2026
A critical review and perspectives on atomistic models of non-crystalline cementitious materials
Duque-Redondo,E., Manzano,H.
2025
Mechanistic insights into calcium-silicate-hydrate nucleation from molecular dynamics simulations
López-Zorrilla,J., Duque-Redondo,E., Martin,P., Aretxabaleta,X.M., Gaitero,J.J., Manzano,H.
Desorption of water from aqueous solution confined in C-S-H gel pore: A molecular dynamics study
Duque-Redondo,E., Manzano,H.
Acid-Catalyzed Dehydrative Nucleophilic Substitutions of 2,6-Di(hydroxymethyl) BODIPYs: A Platform for BODIPY Functionalization
Casado,N., Bañuelos,J., Duque-Redondo,E.
2024
pyCSH: Automated atomic-level structure generation of bulk C-S-H and investigation of their intrinsic properties
López-Zorrilla, J., Manzano, H., Duque-Redondo, E.
Naturally J-aggregated F-BODIPYs: Self-assembly organization driven by substitution pattern
Duque-Redondo, E., Gartzia-Rivero, L., Bañuelos, J.
APTES/Calcium silica hydrate nano-hybrid composites with enhanced mechanical properties
Duque-Redondo, E., Aretxabaleta, X.M., Manzano, H.
2023
Adsorption and migration of Cs and Na ions in geopolymers and zeolites
Duque-Redondo, E., Bañuelos Prieto, J., Manzano, H.
2022
Triplet-triplet sensitizing within pyrene-based COO-BODIPY: a breaking molecular platform for annihilating photon upconversion
Avellanal-Zaballa, E., Duque-Redondo, E., Bañuelos, J.
Nanoscale shear cohesion between cement hydrates: The role of water diffusivity under structural and electrostatic confinement
Duque-Redondo, E., Manzano, H.
A comprehensive review of C-S-H empirical and computational models, their applications, and practical aspects
Duque-Redondo, E., Manzano, H.
2021
Molecular dynamics and experimental study on the adhesion mechanism of polyvinyl alcohol (PVA) fiber in alkali-activated slag/fly ash
Duque-Redondo, E., Dolado, J.S.
Microscopic mechanism of radionuclide Cs retention in Al containing C-S-H nanopores
Duque-Redondo, E., Dolado, J.S., Manzano, H.
Effect of chloride and sulfate in the immobilization of Cs-137 in C-S-H gel
Duque-Redondo, E., Manzano, H.
Cs retention and diffusion in C-S-H at different Ca/Si ratio
Duque-Redondo, E., Manzano, H.
2020
THz fingerprints of cement-based materials
Dolado, J.S., Duque, E.
2019
Modification of poly(ethylene glycol) on the microstructure and mechanical properties of calcium silicate hydrates
Duque-Redondo, E., Manzano, H.
Distinctive Diffusion Regimes of Organic Molecules in Clays: (De)Coupled Motion with Water
Duque-Redondo, E., López-Arbeloa, I., Manzano, H.
2018
Cs-137 immobilization in C-S-H gel nanopores
Duque-Redondo, E., López-Arbeloa, I., Manzano, H.
2017
There are no publications now
2016
Strategies for modulating the luminescence properties of pyronin y dye-clay films: An experimental and theoretical study
Epelde-Elezcano, N., Martínez-Martínez, V., Duque-Redondo, E., Manzano, H., López-Arbeloa, I.
2015
There are no publications now
2014
There are no publications now
2013
There are no publications now
2012
There are no publications now
2011
There are no publications now
Resumen de privacidad

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