Computational Modelling Group


Semiconductors, and especially Si, are the basic building block of the transistor and all the processing power that comes with its implementation. Commercial finite element TCAD (Technology computer aided design) software is used from different vendors (Silvaco, Synopsys) to simulate the fabrication and electrical characteristics of individual transistors. Higher up the hierarchy, Electronic CAD shows the behaviour of circuits consisting of millions (billions) of nominal identical transistors with quantisation related parameter fluctuation. On a more fundamental level, density functional theory is used to calculate the intrinisc properties of Si and e.g. its properties undre passivation by hydrogen.

For queries about this topic, contact Kees de Groot.

View the calendar of events relating to this topic.


Centre for Doctoral Training in Next Generation Computational Modelling

Hans Fangohr, Ian Hawke, Peter Horak (Investigators), Susanne Ufermann Fangohr, Thorsten Wittemeier, Kieran Selvon, Alvaro Perez-Diaz, David Lusher, Ashley Setter, Emanuele Zappia, Hossam Ragheb, Ryan Pepper, Stephen Gow, Jan Kamenik, Paul Chambers, Robert Entwistle, Rory Brown, Joshua Greenhalgh, James Harrison, Jonathon Waters, Ioannis Begleris, Craig Rafter

The £10million Centre for Doctoral Training was launched in November 2013 and is jointly funded by EPSRC, the University of Southampton, and its partners.

The NGCM brings together world-class simulation modelling research activities from across the University of Southampton and hosts a 4-year doctoral training programme that is the first of its kind in the UK.

Continuously Tunable Optical Buffer

Peter Horak (Investigator)

The project aims to design, fabricate and test a novel integrated all-optical buffer device that is based on MEMS technology and provides a continuously tunable delay for optical pulses over a broad wavelength region. Such a device could play a crucial role in future packet-switched optical networks, photonic integrated circuits and coherent light based applications such as optically steered phase array antennas, LIDAR and optical coherence tomography.

This EPSRC funded project is a collaboration between the Optoelectronics Research Centre, Southampton, and University College London.

Development of wide-ranging functionality in ONETEP

Chris-Kriton Skylaris (Investigator), Jacek Dziedzic

ONETEP is at the cutting edge of developments in first principles calculations. However, while the fundamental difficulties of performing accurate first-principles calculations with linear-scaling cost have been solved, only a small core of functionality is currently available in ONETEP which prevents its wide application. In this collaborative project between three Universities, the original developers of ONETEP will lead an ambitious workplan whereby the functionality of the code will be rapidly and significantly enriched.

Investigation into the Interfacial Physics of Field Effect Biosensors

Nicolas Green, Chris-Kriton Skylaris (Investigators), Benjamin Lowe

This interdisciplinary research aims to improve understanding of Field Effect Transistor Biosensors (Bio-FETs) and to work towards a multiscale model which can be used to better understand and predict device response.

Modelling the Combined Effects of Total Ionizing Dose and Random Dopant Fluctuations in sub-100 nm gate-length Transistors

Kees de Groot (Investigator), Eleni Chatzikyriakou

The radiation hardness of state-of-the-art silicon-on-insulator transistors of gate length dimensions of 90 nm and beyond is investigated. The combined effects of oxide charges and random fluctuations of the dopant atoms in silicon are considered. It is demonstrated that a parasitic channel forms at the interface of buried oxide and shallow trench isolation regions of the device and that this effect is aggravated by random dopant fluctuations.


Mark Zwolinski (Investigator), Michael Merrett

Modelling random device variations within systems using nano-CMOS technologies.

On the applicability of nonlinear timeseries methods for partial discharge analysis

Paul Lewin (Investigator), Lyuboslav Petrov

The governing processes of Partial Discharge (PD)
phenomena trigger aperiodic chains of events resulting in ’ap-
parently’ stochastic data, for which the widely adopted analysis
methodology is of statistical nature. However, it can be shown,
that nonlinear analysis methods can prove more adequate in
detecting certain trends and patterns in complex PD timeseries.
In this work, the application of nonlinear invariants and phase
space methods for PD analysis are discussed and potential pitfalls
are identified. Unsupervised statistical inference techniques based
on the use of surrogate data sets are proposed and employed for
the purpose of testing the applicability of nonlinear algorithms
and methods. The Generalized Hurst Exponent and Lempel Ziv
Complexity are used for finding the location of the system under
test on the spectrum between determinism and stochasticity. The
algorithms are found to have strong classification abilities at
discerning between surrogates and original point series, giving
motivation for further investigations.

Optical Characterisation of Black Silicon for Photovoltaics Using the Finite Element Method

Jack Tyson (Investigator)

Here we present a novel method of simulating the reflectance spectra of black silicon solar cells using the finite element method. Designed in COMSOL Multiphysics is a new set of algorithm-controlled-geometries rendering a vast array of different structural permutations of silicon nanowires. Our model focused on the variation of this geometry within customisable predefined conditions in large output quantities, collated and averaged to reliably determine the reflectance of an entire black silicon solar cell.

The ONETEP project

Chris-Kriton Skylaris (Investigator), Stephen Fox, Chris Pittock, Álvaro Ruiz-Serrano, Jacek Dziedzic

Program for large-scale quantum mechanical simulations of matter from first principles quantum mechanics. Based on theory and algorithms we have developed for linear-scaling density functional theory calculations on parallel computers.

Today's Computation Enabling Tomorrow's Seamless Communication

Lajos Hanzo (Investigator), Varghese Thomas

Radio Over Fibre (ROF) is a communication technique that aims to gainfully amalgamate the benefits of optical and wireless communication, while keeping the system cost low. This technique would support the next generation of wireless services.


Graeme Day
Professor, Chemistry (FNES)
Kees de Groot
Professor, Electronics and Computer Science (FPAS)
Hans Fangohr
Professor, Engineering Sciences (FEE)
Lajos Hanzo
Professor, Electronics and Computer Science (FPAS)
Paul Lewin
Professor, Electronics and Computer Science (FPAS)
Mark Zwolinski
Professor, Electronics and Computer Science (FPAS)
Nicolas Green
Reader, Electronics and Computer Science (FPAS)
Peter Horak
Reader, Optoelectronics Research Centre
Ian Hawke
Lecturer, Mathematics (FSHS)
Chris-Kriton Skylaris
Lecturer, Chemistry (FNES)
Francesco Poletti
Senior Research Fellow, Optoelectronics Research Centre
Jacek Dziedzic
Research Fellow, Chemistry (FNES)
Ugur Mart
Research Fellow, Engineering Sciences (FEE)
Otello Roscioni
Research Fellow, Chemistry (FNES)
Ioannis Begleris
Postgraduate Research Student, Engineering Sciences (FEE)
Gabriele Boschetto
Postgraduate Research Student, Engineering Sciences (FEE)
Rory Brown
Postgraduate Research Student, Civil Engineering & the Environment (FEE)
Paul Chambers
Postgraduate Research Student, Engineering Sciences (FEE)
Eleni Chatzikyriakou
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Robert Entwistle
Postgraduate Research Student, Engineering Sciences (FEE)
Stephen Fox
Postgraduate Research Student, Chemistry (FNES)
Stephen Gow
Postgraduate Research Student, Engineering Sciences (FEE)
Joshua Greenhalgh
Postgraduate Research Student, Engineering Sciences (FEE)
James Harrison
Postgraduate Research Student, Engineering Sciences (FEE)
Benjamin Lowe
Postgraduate Research Student, Electronics and Computer Science (FPAS)
David Lusher
Postgraduate Research Student, Engineering Sciences (FEE)
Alvaro Perez-Diaz
Postgraduate Research Student, Engineering Sciences (FEE)
Lyuboslav Petrov
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Chris Pittock
Postgraduate Research Student, Chemistry (FNES)
Craig Rafter
Postgraduate Research Student, Engineering Sciences (FEE)
Hossam Ragheb
Postgraduate Research Student, Engineering Sciences (FEE)
Álvaro Ruiz-Serrano
Postgraduate Research Student, Chemistry (FNES)
Kieran Selvon
Postgraduate Research Student, Engineering Sciences (FEE)
Ashley Setter
Postgraduate Research Student, Engineering Sciences (FEE)
Jack Tyson
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Jonathon Waters
Postgraduate Research Student, Engineering Sciences (FEE)
Thorsten Wittemeier
Postgraduate Research Student, Engineering Sciences (FEE)
Emanuele Zappia
Postgraduate Research Student, Engineering Sciences (FEE)
Petrina Butler
Administrative Staff, Research and Innovation Services
Susanne Ufermann Fangohr
Administrative Staff, Civil Engineering & the Environment (FEE)
Jan Kamenik
Alumnus, University of Southampton
Michael Merrett
Alumnus, University of Southampton
Zheng Jiang
None, None
Varghese Thomas
None, None