Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 7 Affordable and Clean Energy -
SDG 13 Climate Action
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Collaborations and top research areas from the last five years
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Accelerated Percolation Path Identification in Twisted Bilayer Graphene
Sjølin, B. H., Hansen, W. S., Hjort, K., García-Lastra, J. M. & Castelli, I. E., 2026, In: Journal of Chemical Theory and Computation. 22, 5, p. 2586-2596 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Exploring the vast landscape of stable materials for CO(2)RR
Karlsson, L., Frost, E. J. P., Nissen, M. S., Beck, P., Hansen, H. A., Castelli, I. E. & Bagger, A., 2026, In: Electrochimica Acta. 549, 8 p., 148053.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile9 Downloads (Orbit) -
Hole Polaronic Confinement in (111) Yttria-Stabilised Zirconia
Vasiljevic, M., Buratto Tinti, V., Zamudio-García, J., Castillo Robles, J. M., Bilalis, V., Asghar, I., Santucci, S., Wu, Y., Sanna, S., Aruta, C., Orgiani, P., Koukoulis, D., Marrero-López, D., Wang, W., Castelli, I. E. & Esposito, V., 2026, (Accepted/In press) In: Small. e13940.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile -
Improved calculation framework for Prussian Blue analogues as a battery material
Baumgart, S., Sotoudeh, M., Castelli, I. E. & Groß, A., 2026, In: EES Batteries. 2, 1, p. 220-237 18 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile47 Downloads (Orbit) -
OER trends on TiO2 anatase hydroxylated surfaces: a DFT study
Man, I.-C., Sokolov, M., Exner, K. S. & Castelli, I. E., 2026, (Accepted/In press) In: Physical Chemistry Chemical Physics.Research output: Contribution to journal › Journal article › Research › peer-review
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Multiscale Models of Corrosion Processes in Molten Salts
Heegaard, T. N. (PhD Student), Castelli, I. E. (Main Supervisor), Castillo Robles, J. M. (Supervisor), Møller, K. B. (Supervisor) & Vegge, T. (Supervisor)
01/09/2025 → 31/08/2028
Project: PhD
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AL-assisted, high-throughput synthesis and characterization of nanoparticles for sacrificial-agent-free water splitting
Arenaza Prieto, I. (PhD Student), Grivel, J.-C. (Main Supervisor), Castelli, I. E. (Supervisor) & Lee, H. K. (Supervisor)
15/01/2025 → 14/01/2028
Project: PhD
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Discovery of Kagome Materials for Magnetic Catalysis
Beck, P. (PhD Student), Castelli, I. E. (Main Supervisor), Hansen, H. A. (Supervisor), Vegge, T. (Supervisor) & Suntivich, J. (Supervisor)
15/10/2024 → 14/10/2027
Project: PhD
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Development of data infrastructure and autonomous workflows for energy applications
Pedersen, J. R. (PhD Student), Castelli, I. E. (Main Supervisor) & Vegge, T. (Supervisor)
15/08/2024 → 16/10/2027
Project: PhD
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PhD Scholarship in Micro-single chamber solid oxide cells for IoT applications - DTU Energy (2645)
Shanto, M. S. I. (PhD Student), Esposito, V. (Main Supervisor), Castelli, I. E. (Supervisor) & Lund, P. D. (Supervisor)
01/06/2024 → 31/05/2027
Project: PhD
Datasets
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NEB and band structure calculations for APbI3 (A=Cs, Rb, K) perovskite memristive devices
Kortstee, L. T. J. (Creator) & Castelli, I. E. (Creator), Technical University of Denmark, 2025
Dataset
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Dataset for "Strain Engineering in Ba7Nb4MoO20 Hexagonal Perovskites for Enhanced Oxygen-Ion Conductivity"
Morin-Martinez, A. A. (Creator), Dhanalakshmi, R. B. D. (Creator), Castelli, I. E. (Creator), Vegge, T. (Creator) & Esposito, V. (Creator), Technical University of Denmark, 2025
Dataset