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Prof. Neophytos Neophytou

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Professor Neophytos Neophytou


N dot Neophytou at warwick dot ac dot uk
+44 (0) 24 7652 3123

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Neophytos Neophytou received his BSc degree in Electrical and Computer Engineering in 2001 and his MSc degree in 2003 in the area of Microelectronics and Nanotechnology, both from Purdue University, West Lafayette, IN. He completed his PhD degree in 2008 again from Purdue University under the supervision of Professors Mark Lundstrom and Gerhard Klimeck. Form 2008-2013 he worked as a Post-Doctoral Researcher at the Institute of Microelectronics at the Technical University of ViennaLink opens in a new window in Austria. He is currently a Professor at the University of WarwickLink opens in a new window in the UK. He was awarded the 2015 ERC Starting Grant Link opens in a new windowand the 2021 ERC Consolidator Grant from the European Commission. His area of specialisation is theory, computational modelling and simulation of electronic and thermal transport in nanomaterials and devices. More details can be found in his Warwick research pageLink opens in a new window and personal pageLink opens in a new window.

Research Interests

Neophytos's research interests are theory, modelling and large-scale simulation of electronic, thermal, and thermoelectric transport in nanostructured materials and devices. He has developed and employees a number of electronic and thermal transport simulators that span methods from continuum to atomistic and from classical to fully quantum mechanical. He runs the Computational Nanotechnology Lab in the School of Engineering of the University of Warwick.

More information about his research, as well as full list of his publications can be found at his personal webpage ( as well as his laboratory page: Warwick School of Engineering Computational Nanotechnology Lab.

Teaching Interests

ES2D6 Semiconductor materials and Devices

Selected Publications

Neophytos Neophytou, Vassilios Vargiamidis, Samuel Foster, Patrizio Graziosi, Laura de Sousa Oliveira, Dhritiman Chakraborty, Zhen Li, Mischa Thesberg, Hans Kosina, Nick Bennett, Giovanni Pennelli, and Dario Narducci, ‘Hierarchically nanostructured thermoelectric materials: Challenges and opportunities for improved power factors,’ European Physical Journal B, 93, 213, 2020, Invited Colloquium.

Patrizio Graziosi, Chathurangi Kumarasinghe, and Neophytos Neophytou, ‘Impact of the scattering physics on the power factor of complex thermoelectric materials’, Journal of Applied Physics 126, 155701 (2019)

Neophytos Neophytou, Xanthippi Zianni, Hans Kosina, Stefano Frabboni, Bruno Lorenzi, and Dario Narducci, “Simultaneous increase in electrical conductivity and Seebeck coefficient in highly Boron-doped nanocrystalline Si,” Nanotechnology 24 (2013) 205402.

Neophytos Neophytou and Hans Kosina, “Atomistic simulations of low-field mobility in Si nanowires: Influence of confinement and orientation,” Physical Review B, 84, 085313, 2011.

Neophytos Neophytou, Abhijeet Paul, Mark S. Lundstrom, and Gerhard Klimeck, “Bandstructure effects in silicon nanowire electron transport,” IEEE Trans. Electr. Dev.,vol. 55, no. 6, pp. 1286-1297, 2008.

Projects and Grants

Title Funder Award start Award end
Solid-liquid ThermoElectric systems with uncorrelated properties (UncorrelaTEd) European Commission 01 Jan 2020 31 Dec 2023
Advanced Simulation Design of Nanostructured Thermoelectric Materials with Enhanced Power Factors: NANOthermMA European Research Council (ERC) 01 Jan 2016 30 Jun 2022
Generic transport simulator for new generation thermoelectric materials European Commission 01 Jul 2018 30 Jun 2020