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Computational Nanotechnology Lab

overview of research


Current Projects:

Marie-Curie Individual Fellowship (GENESIS): ‘Generic transport simulator for new generation thermoelectric materials’

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ERC Starting Grant (NANOthermMA): ‘Advanced Simulator Design of Nanostructured Thermoelectric (TE) Materials with Enhanced Power Factors’

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Research interests

Theory and Computational Modeling of Nanomaterials and Devices:

  • Electronic transport at the nanoscale
  • Phononic transport at the nanoscale
  • Thermoelectric materials
  • Nanotransistors and electronic devices
  • Large scale simulator development
  • Energy conversion and generation


June 2019

Cheltenham Science Festival Discover Zone 2019

Energy crisis: Nanomaterials for green energy generation

4 - 9 June 2019, Imperial Square, Cheltenham

Presented in collaboration with the University of Exeter.

May 2019

E-MRS Spring Meeting

27 - 31 May 2019, Nice, France

Vassilios Vargiamidis presents work at the E-MRS Spring Meeting in Nice, France.

International Workshop of Computational Nanotechnology

23 May 2019, Evanston, Illinois

Patrizio presents at the Inter…

UK Thermoelectric Network Meeting

The NanoTherma Group presents work at the UKTEN Meeting at Kings College London from 1 - 2 May 2019

Journal Publications

Vargiamidis et al. Phys. Rev. B 99, 045405, 2019. [pdf][link to PRB][arXiv]

Foster et al. Journal of Electronic Materials, 2018. [pdf][link to JEM][arXiv]

Beretta et al. Mater.Sci.and Engin..: R: Report., 2018. [link to Mat. Sci. and Eng.: R: Reports]

Chakraborty et al. Phys. Rev. B 98, 115435, 2018. [pdf][arXiv][link to PRB]

Vargiamidis et al. Phys. Stat. Solidi A, 1700997, 2018. [pdf][arXiv][link to pssa]

Graziosi et al. J. of App. Phys. 123, 084503, 2018. [pdf][arXiv][link to JAP]

Foster et al. Phys. Rev. B, 96, 195425, 2017.
[pdf][arXiv][link to PRB]

Thesberg et al. Phys. Rev. B 95, 125206, 2017. [pdf][arXiv][link to PRB]

Thesberg et al. J. Appl. Phys. 120, 234302, 2016. [pdf][arXiv][link to JAP]

Bennett et al. Appl. Phys. Lett. 109, 173905, 2016. [pdf][link to APL]

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Semiconductors materials and devices module.

Analogue electronics and amplification design.

Electronics and circuits lab.


Group Software

– 2D NEGF with electron-phonon scattering
– Phonon Monte Carlo
– Electronic Monte Carlo (1D)
– HEMT device simulator (NEGF)
– Nanowire simulator (Tight-Binding + self-consistency)
– Tight-binding electronic structure for semiconductors