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Computational Nanotechnology Lab

overview of research


Current Projects:

FET open project (UncorrelaTed): ‘Solid-liquid thermoelectric systems with uncorrelated properties’

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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


March 2020

Closed for Covid-19.

Please read University Coronavirus Guidelines for further information.

Presentations scheduled for APS by Patrizio and Phytos cancelled over Covid-19.

Presentations by Patrizio and Phytos scheduled at Denver, Colorado.

APS March …

Journal Publications

Li et al., Phys. Rev. B, 104 (19), 195201 (2020). [pdf][link to PRB][arXiv]

Chakraborty et al., Comp. Mater. Sci., 180, 109712 (2020). [pdf] [link to Comp. Mat. Sci]

Neophytou et al., Mater. Today Phys., 11, 100159, (2019). [pdf][arXiv][link to MTPHYS]

Chakraborty et al., J. Appl. Phys., 126, 184303 (2019). [pdf][JAP][arXiv]

Graziosi et al., J. Appl. Phys., 126, 155701 (2019).[pdf][JAP][arXiv]

Oliveira et al., IEEE Trans. on Nanotech., 18, 896-903, (2019). [link to IEEE][arXiv]

Vargiamidis et al., J. Appl. Phys., 126, 055105 (2019). [pdf][link to JAP][arXiv]

Oliveira et al., Phys. Rev. B, 100, 035409 (2019). [pdf ][link to PRB][arXiv]

Kumarasinghe et al., Phys. Rev. B, 99, 195202 (2019). [pdf][link to PRB][arXiv]

Foster et al., Comp. Mater. Sci., 164, 91-98, (2019). [pdf][link to Comp. Mat. Sci.][arXiv]

Chakraborty et al., J. Electronic. Mater., 48 (4), 1909-1916, (2019). [pdf][link to JEM][arXiv]

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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