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Computational Nanotechnology Lab

NeophytouNeophytos Neophytou's area of specialisation is theory, computational modeling and simulation of transport in nanoelectronic devices. He has worked extensively on theoretical modeling of atomistic and quantum effects on the electronic properties of nanoscale devices, nanowires, ultra thin-body devices, carbon nanotubes, graphene nanoribbon devices and III-V HEMT devices. His current research interests include thermoelectric transport in nanostructured devices, and in particular superlattices and nanowires, for energy conversion and generation applications. He was awarded the 2015 ERC Starting Grant from the European Commission. For further details, please refer to his CV and Google Scholar page.

Post-Doctoral Research Opportunities:

A Post-doc position is available for the development, fabrication and characterisation of nanodevices for thermoelectric applications. The position will be based in the lab of Giovanni Pennelli in the University of Pisa. For more information, please see (PDF Document).

Team Members

Samuel Foster, PhD Student
Damiano Archetti, PhD Student
Dhritiman Chakraborty, PhD Student

Major Collaborations

Hans Kosina, Institute for Microelectronics, TU Vienna
Mischa Thesberg, Institute for Microelectronics, TU Vienna
Dario Narducci, University Milano-Bicocca
Giovanni Pennelli, University of Pisa
Marisol martin Gonzalez, Instituto de Microelectronica de Madrid, CSIC
Nick Bennett, University of Heriot-Watt

Full List of Publications: personal webpage

ERC-related publications:

[5] Mischa Thesberg, Hans Kosina, and Neophytos Neophytou, ‘On the Lorenz number of multiband materials’, Phys. Rev. B 95, 125206, 2017.


[4] Mischa Thesberg, Hans Kosina, and Neophytos Neophytou,’On the effectiveness of the thermoelectric energy filtering mechanism in low-dimensional superlattices and nano-composites’, J. Appl. Phys. 120, 234302 (2016). [pdf][arXiv][link to JAP]
[3] Nick S. Bennett, Daragh Byrne, Aidan Cowley, and Neophytos Neophytou, “Dislocation Loops as a Mechanism for Thermoelectric Power Factor Enhancement in Silicon Nano-Layers,” Appl. Phys. Lett. 109, 173905 (2016). [pdf][link to APL]
[2] J. A. P.-Taborda, M. M.-Rojo, J. Maiz, N. Neophytou, M. M. González, “Ultra-low thermal conductivities in large-area Si-Ge nanomeshes for thermoelectric applications,” Nature Sci. Rep., 6, 32778, 2016. [pdf][link to Nature]
[1] Hossein Karamitaheri and Neophytos Neophytou, “On the channel width-dependence of the thermal conductivity in ultra-narrow graphene nanoribbons,” Appl. Phys. Lett. 109, 063102 (2016). [pdf][link to APL][link to arXiv]


ERC-related presentations:

[8] Neophytos Neophytou*, Samuel Foster, Mischa Thesberg, Hans Kosina, ‘Electronic transport simulations in nanocomposites – exploring the features that optimize the thermoelectric power factor’,E-MRS, Strasburg, France, May 2017, (invited).


[7] N.Neophytou,"Understanding and designing the thermoelectric properties of nano materials using atomistic and quantum transport simulations", University of Warwick, Department of Physics Theory Group Seminar, March 2nd, 2017.


[6] S. Foster*, D. Chakraborty, M. Thesberg, H. Kosina, N. Neophytou, ”Monte Carlo simulations for extracting the power factor in 1D systems”, EPRSC Thermoelectric Network Meeting, Manchester UK, Feb. 14-15, 2017.


[5] Neophytos Neophytou* and Hossein Karamitaheri, ‘Phonon transport studies in ultra-narrow graphene nanoribbons: Understanding features of heat flow in 1D’, Quantum Science Symposium Europe Meeting, Cambridge, UK, November 1-2, 2016 (invited). [pdf][link to QSS Europe 2016]
[4] Neophytos Neophytou* and Hossein Karamitaheri, ‘Phonon transport effects in disordered graphene nanoribbons,’ Nanoscale and Mocroscale Heat Transfer V, EUROTHERM Seminar No 108, Santorini, Greece, September 26-30, 2016. [pdf][link to EUROTHERM]
[3] N. Neophytou*, M. Thesberg, and H. Kosina, ‘Examining the effectiveness of energy-filtering in 1D vs. 2D structures using quantum mechanical transport simulations,’ ECT 2016, Lisbon, Portugal, 20-23 September 2016. [pdf][link to ECT 2016]
[2] M. Thesberg, N. Neophytou, and H. Kosina, ‘Calculating the power factor of nano-composite materials from fully quantum-mechanical large-scale simulations,’ ECT 2016, Lisbon, Portugal, 20-23 September 2016. [pdf][link to ECT 2016]
[1] Neophytos Neophytou, “Theory and simulation for improving thermoelectric performance of nanoscale materials”, Fifth International Symposium on Energy Challenges and Mechanics (ECM5) – working on small scales
July 10-15, 2016, Inverness, Scotland (invited). [pdf][link to ECM5]

ERC logo

horizon 2020


May 2017: Dr Neophytou presents an invited talk at E-MRS in Strassburg, France

March 2017: Dr. Patrizio Graziosi from CNR, Bologna visits the group at Warwick to initiate a project on Heusler thermoelectric materials