Computational Modeling of Nanostructured Materials


Dr. Nikolaos Ntallis studied Physics in Aristotle University Thessaloniki, Greece. He continued there with his M.Sc. "Physics and Technology of Materials" and his Ph. D studies.In his PhD thesis titled ‘Computational applications of the theory of micromagnetism‘, he developed a theoretical model for the response of magnetic nanoparticles to fast- and slow-varying external fields, based on the micromagnetic theory. In order to find numerical solutions of this model he developed a code based on finite element method. The implementation of the method involved high order polynomial approximations involving the magnetization vector and the scalar magnetic potentials.  He has participated as postdoctoral fellow in the projects: 1)EXCELLENCE Project COMANA , 2)European Union's Horizon 2020 Research and Innovation Programme MAGENTA and 3)Dynamic Phenomena of Magnetic Materials in Sweden.

His current research activity is focused on  static and dynamic properties of magnetic materials by DFT, spin dynamics and micromagnetic methods for developing materials  with targeted functionalization for applications like spintronics, information storage and biotechnology. Lately he has been working on molecular-spin dynamics coupling. Moreover he is interested in developing numerical methods and scientific computing.


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., 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]

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., 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]

Ntallis, N., Vasilakaki, M., Peddis, D. and Trohidou, K.N., Effect of organic coating on the charge distribution of CoFe2O4 nanoparticles Journal of Alloys and Compounds, Volume 796, Pages: 9-12, 2019 [doi]

Ntallis, N., Peyre, V., Perzynski, R., Dubois, E. and Trohidou, K.N., Charge distribution on the water/γ-Fe 2 O 3 interface Journal of Magnetism and Magnetic Materials, Volume 484, Pages: 74-82, 2019 [doi]

Vasilakaki, M., Ntallis, N., Yaacoub, N., Muscas, G., Peddis, D. and Trohidou, K.N., Optimising the magnetic performance of Co ferrite nanoparticles: Via organic ligand capping Nanoscale, Volume 10, Pages: 21244-24253, 2018 [doi]

Yang, S., Feng, C., Spence, D., Al Hindawi, A.M.A.A., Latimer, E., Ellis, A.M., Binns, C., Peddis, D., Dhesi, S.S., Zhang, L., Zhang, Y., Trohidou, K.N., Vasilakaki, M., Ntallis, N., MacLaren, I. and de Groot, F.M.F., Robust Ferromagnetism of Chromium Nanoparticles Formed in Superfluid Helium Advanced Materials, Volume 29, Article Number: 1604277, 2017 [doi]

Ntallis, N., Efthimiadis, K.G. and Trohidou, K.N., A New Approach to Include Surface Contributions in Micromagnetic Simulations of Nanoparticles Volume 75, Pages: 1112-1121, 2015 [doi]

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