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Professor Stefano Sanvito

Professor of Condensed Matter Theory (Physics)

Director of CRANN (CRANN)

At the beginning of year 2002 I moved from University of California Santa Barbara to the Trinity College Dublin, creating the "Computational Spintronics Group" within the Physics Department. The main research focus of the group is to study theoretically spin transport at the nanscale level. The group at present comprises two postdoctoral researchers, six PhD students and several undergraduate and summer students. We established the "Computational Spintronics Lab." with nine state of the art PC workstations. The purchase of a large LinuX-based cluster is at present under tender. We maintain several collaborations locally and internationally with frequent visits to Dublin from our collaborators. In year 2003/2004 we host an equivalent of about two months visit. In the two years 2002-2004 we have published over ten publications in peer reviewed journals, two book chapters, several conference proceedings, and we have submitted an Irish patent. Recently we received fundings from Science Foundation of Ireland, Enterprise Ireland and the High Education Authority, for a total of about 1,5 Million Euro over the next five years. This ranks us as probably the largest and best funded single PI Computational Materials Science group in Ireland.
  Computer Modelling   Condensed Matter   Condensed Matter Theory   Electronic/Optical Materials   Magnetic Materials   Magnetics   Materials Sciences   Mathematical Modelling   Nanotechnology   Physics   Semiconductors   Theoretical Physics
 eMag: a computational platform for accelerated magnetic materials discovery
 MLThermo: Machine Learning for the Rapid Design of 2D Heterostructures for Thermal Applications
 DDMM: Data-driven magnetic materials invrese design
 The Discovery Of Energy Materials On The Flatland

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Member of the Americal Physical Society
Organizer of the symposium on "spin injection into semiconductors" at JEMS 2004
Collaborator for Contemporary Physics
Reviewer for Physical Review B, Physical Review Letters, The European Physical Journal B, Europhysics Letters, Journal of Physics C: Condensed Matter, Semiconductor Science and Technology, Journal of Computational and Theoretical Nanoscience
Organizer of the "Magnetism and spin injection in semiconductors" symposium at the 2004 Joint European Magnetic Symposia (Dresden)
Member of the editorial board of "Journal of Computational and Theoretical Nanoscience"
Co-organizer of the "Spintronics" session at the 2003 Electronic Materials Conference
E Bosoni, S Sanvito, Complex band structure with non-orthogonal basis set: analytical properties and implementation in the SIESTA code, Journal of Physics: Condensed Matter, 2022, Journal Article, PUBLISHED  TARA - Full Text  DOI
Lei Zhang and Cheng Tang and Stefano Sanvito and Yuantong Gu and Aijun Du, Hydrogen-Intercalated 2D Magnetic Bilayer: Controlled Magnetic Phase Transition and Half-Metallicity via Ferroelectric Switching, ACS Applied Materials & Interfaces, 14, (1), 2022, p1800--1806 , Journal Article, PUBLISHED  TARA - Full Text  DOI
Heesoo Park, Syam Kumar R, Akinlolu Akande, Stefano Sanvito, Fedwa El-Mellouhi, The rise of Nb - Ta - and Bi-based oxides/chalcogenides for photocatalytic applications, International Journal of Hydrogen Energy, 2022, Journal Article, PUBLISHED  DOI
Wang, Y. and Pan, H. and Lin, D. and Li, S. and Wang, Y. and Sanvito, S. and Hou, S., Robust covalent pyrazine anchors forming highly conductive and polarity-tunable molecular junctions with carbon electrodes, Physical Chemistry Chemical Physics, 24, (35), 2022, p21337-21347 , Notes: [cited By 0], Journal Article, PUBLISHED  DOI
Jiang, Y. and Wang, Y. and Sanvito, S. and Hou, S., Density Functional Study on the Deprotonation and Binding Mechanism of Imidazole on Gold Electrodes in an Aqueous Environment, Journal of Physical Chemistry C, 126, (30), 2022, p12424-12434 , Notes: [cited By 0], Journal Article, PUBLISHED  DOI
Nelson, J. and Coopmans, L. and Kells, G. and Sanvito, S., Data-driven time propagation of quantum systems with neural networks, Physical Review B, 106, (4), 2022, Notes: [cited By 0], Journal Article, PUBLISHED  DOI
Cobelli, M. and Cahalane, P. and Sanvito, S., Local inversion of the chemical environment representations, Physical Review B, 106, (3), 2022, Notes: [cited By 0], Journal Article, PUBLISHED  DOI
Domina, M. and Cobelli, M. and Sanvito, S., Spectral neighbor representation for vector fields: Machine learning potentials including spin, Physical Review B, 105, (21), 2022, Notes: [cited By 0], Journal Article, PUBLISHED  DOI
Shukla, G. and Sanvito, S. and Lee, G., Fe- and Co-based magnetic tunnel junctions with AlN and ZnO spacers, Physical Review B, 105, (18), 2022, Notes: [cited By 0], Journal Article, PUBLISHED  DOI
Noh, S. and Sanvito, S. and Shin, M., DFT-NEGF Simulation Study of Co2FeAl-MgO-Co2FeAl Magnetic Tunnel Junctions under Biaxial Strain, IEEE Transactions on Magnetics, 58, (5), 2022, Notes: [cited By 0], Journal Article, PUBLISHED  DOI

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Peng Jiang, Lili Kang, Xiaohong Zheng, Zhi Zeng, and Stefano Sanvito, Computational prediction of a two-dimensional semiconductor SnO2 with negative Poisson's ratio and tunable magnetism by doping, Physical Review B, 2020, Journal Article, PUBLISHED
Aaron Hurley, Nadjib Baadji, Stefano Sanvito, A pertubative approach to the Kondo effect in magnetic atoms on nonmagnetic substrates, 2011, Journal Article, SUBMITTED
A. Filippetti, C. D. Pemmaraju, P. Delugas, D. Puggioni, V. Fiorentini, S. Sanvito, A variational pseudo-self-interaction correction approach: ab-initio description of correlated oxides and molecules, 2011, Journal Article, SUBMITTED


Award Date
Elected 'Cavaliere della Stella d'Italia', Knight of the Italian Star February 2017
Elected Member of the Royal Irish Academy May 2016
Fellow of the Institute of Physics (UK) April 2013
2007 IUPAP Young Scientist Prize in Computational Physics September 2007
Fellow of Trinity College April 2006
Spin-transport at the atomic scale Density functional study of electronic and transport properties of spintronics materials and in particular of III-V diluted magnetic semiconductors Development of analytical and numerical techniques for quantum electronic transport using ab initio methods Density functional theory methods for strongly correlated electrons Transport properties of magnetic hybrid systems and carbon nanotubes