Computational Modeling of Nanostructured Materials


Dr Κalliopi Trohidou (Director of Research) 

She is researcher in NCSRD since 1995 and head of the Computational Modeling of Nanostructured Materials (CMNM) Group and the research laboratory. She is author of more than 120 scientific articles, 8 chapters in books, editor of a book and member of the organising and scientific committee of over 20 International Conferences. She has been involved as partner and co-ordinator in several EU and other National and International projects. She has supervised 5 PhD students and several Msc students. She has many International collaborations in particular with partners from the EU countries.
Her research interests are at the area of the Theoretical Studies and Computational Modeling of nanostructured materials. Her current research interests include studies of systems of magnetic nanoparticles for technological, biomedical and energy applications, using multiscale modeling techniques.


Antonaropoulos, G., Vasilakaki, M., Trohidou, K.N., Iannotti, V., Ausanio, G., Abeykoon, M., Bozin, E.S. and Lappas, A., Tailoring defects and nanocrystal transformation for optimal heating power in bimagnetic CoyFe1-yO@CoxFe3-xO4particles Nanoscale, Volume 14, Pages: 382-401, 2022 [doi]

Vasilakaki, M., Margaris, G. and Trohidou, K., Interparticle Interactions: Theory and Mesoscopic Modeling Springer Series in Materials Science, Volume 308, Pages: 39-63, 2021 [doi]

Vasilakaki, M., Gemenetzi, F., Devlin, E., Yi, D.K., Riduan, S.N., Lee, S.S., Ying, J.Y., Papaefthymiou, G.C. and Trohidou, K.N., Size effects on the magnetic behavior of γ-Fe2O3 core/SiO2 shell nanoparticle assemblies Journal of Magnetism and Magnetic Materials, Volume 522, Article Number: 167570, 2021 [doi]

Peddis, D., Trohidou, K.N., Vasilakaki, M., Margaris, G., Bellusci, M., Varsano, F., Hudl, M., Yaacoub, N., Fiorani, D., Nordblad, P. and Mathieu, R., Memory and superposition in a superspin glass Scientific Reports, Volume 11, Article Number: 7743, 2021 [doi]

Omelyanchik, A., Villa, S., Vasilakaki, M., Singh, G., Ferretti, A.M., Ponti, A., Canepa, F., Margaris, G., Trohidou, K.N. and Peddis, D., Interplay between inter- And intraparticle interactions in bi-magnetic core/shell nanoparticles Nanoscale Advances, Volume 3, Pages: 6912-6924, 2021 [doi]

Abdolrahimi, M., Vasilakaki, M., Slimani, S., Ntallis, N., Varvaro, G., Laureti, S., Meneghini, C., Trohidou, K.N., Fiorani, D. and Peddis, D., Magnetism of nanoparticles: Effect of the organic coating Nanomaterials, Volume 11, Article Number: 1787, 2021 [doi]

Vasilakaki, M., Ntallis, N. and Trohidou, K.N., Application of Multiscale Computational Techniques to the Study of Magnetic Nanoparticle Systems Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), Volume 12044 LNCS, Pages: 301-311, 2020 [doi]

Vasilakaki, M., Margaris, G., Ntallis, N. and Trohidou, K., Multiscale modeling of magnetic nanoparticle systems Frontiers of Nanoscience, Volume 17, Pages: 27-39, 2020 [doi]

Vasilakaki, M., Ntallis, N., Bellusci, M., Varsano, F., Mathieu, R., Fiorani, D., Peddis, D. and Trohidou, K.N., Effect of albumin mediated clustering on the magnetic behavior of MnFe2O4 nanoparticles: Experimental and theoretical modeling study Nanotechnology, Volume 31, Article Number: 025707, 2020 [doi]

Sánchez, E.H., Vasilakaki, M., Lee, S.S., Normile, P.S., Muscas, G., Murgia, M., Andersson, M.S., Singh, G., Mathieu, R., Nordblad, P., Ricci, P.C., Peddis, D., Trohidou, K.N., Nogués, J. and De Toro, J.A., Simultaneous individual and dipolar collective properties in binary assemblies of magnetic nanoparticles Chemistry of Materials, Volume 32, Pages: 969-981, 2020 [doi]

Daffé, N., Zecevic, J., Trohidou, K.N., Sikora, M., Rovezzi, M., Carvallo, C., Vasilakaki, M., Neveu, S., Meeldijk, J.D., Bouldi, N., Gavrilov, V., Guyodo, Y., Choueikani, F., Dupuis, V., Taverna, D., Sainctavit, P. and Juhin, A., Bad neighbour, good neighbour: How magnetic dipole interactions between soft and hard ferrimagnetic nanoparticles affect macroscopic magnetic properties in ferrofluids Nanoscale, Volume 12, Pages: 11222-11231, 2020 [doi]

Vasilakaki, M., Chikina, J., Shikin, V.B., Ntallis, N., Peddis, D., Varlamov, A.A. and Trohidou, K.N., Enhancement of the Seebeck coefficient in ferrofluid based thermoelectric materials: A numerical study Volume 44, Pages: 3483-3488, 2019 [doi]

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