Computational Modelling Group

Tcl

Multi-platform and multi-purpose scripting language. Python & Perl are probably quicker (and everyone argues about which is best) but tcl is probably easier to learn :-)

For queries about this topic, contact Ben Anderson.

Projects

Census 2022: Transforming Small Area Socio-Economic Indicators through Big Data

Patrick James, Ben Anderson (Investigators)

One of only 20 to be funded under the ESRC’s new ‘Transformative Social Science’ programme, this project will explore the feasibility of estimating small area (neighbourhood) census-like statistics from transactional ‘big data’ including large scale fine grained temporal energy monitoring data held by the Energy & Climate Change Division (FEE).

Centre for Doctoral Training in Next Generation Computational Modelling

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

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.

THE NORM MATE TRANSPORTER FROM N. GONORRHEAE: INSIGHTS INTO DRUG & ION BINDING FROM ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS

Syma Khalid (Investigator), Daniel Holdbrook, Thomas Piggot, Yuk Leung

The multidrug and toxic compound extrusion (MATE) transporters extrude a wide variety of substrates out of both mammalian and bacterial cells via the electrochemical gradient of protons and cations across the membrane. Multiple atomistic simulation are performed on a MATE transporter, NorM from Neisseria gonorrheae (NorM_NG) and NorM from Vibrio cholera (NorM_VC). These simulations have allowed us to identify the nature of the drug-protein/ion-protein interactions, and secondly determine how these interactions contribute to the conformational rearrangements of the protein.

People

Kees de Groot
Professor, Electronics and Computer Science (FPAS)
Hans Fangohr
Professor, Engineering Sciences (FEE)
Peter Horak
Reader, Optoelectronics Research Centre
Patrick James
Senior Lecturer, Civil Engineering & the Environment (FEE)
Ian Hawke
Lecturer, Mathematics (FSHS)
Syma Khalid
Principal Research Fellow, Chemistry (FNES)
Ben Anderson
Senior Research Fellow, Civil Engineering & the Environment (FEE)
Marijan Beg
Research Fellow, Engineering Sciences (FEE)
Ioannis Begleris
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 Gow
Postgraduate Research Student, Engineering Sciences (FEE)
Joshua Greenhalgh
Postgraduate Research Student, Engineering Sciences (FEE)
James Harrison
Postgraduate Research Student, Engineering Sciences (FEE)
Jan Kamenik
Postgraduate Research Student, Engineering Sciences (FEE)
Yuk Leung
Postgraduate Research Student, Chemistry (FNES)
David Lusher
Postgraduate Research Student, Engineering Sciences (FEE)
Alvaro Perez-Diaz
Postgraduate Research Student, Engineering Sciences (FEE)
Craig Rafter
Postgraduate Research Student, Engineering Sciences (FEE)
Hossam Ragheb
Postgraduate Research Student, Engineering Sciences (FEE)
Kieran Selvon
Postgraduate Research Student, Engineering Sciences (FEE)
Ashley Setter
Postgraduate Research Student, Engineering Sciences (FEE)
Jonathon Waters
Postgraduate Research Student, Engineering Sciences (FEE)
Thorsten Wittemeier
Postgraduate Research Student, Engineering Sciences (FEE)
Emanuele Zappia
Postgraduate Research Student, Engineering Sciences (FEE)
Susanne Ufermann Fangohr
Administrative Staff, Civil Engineering & the Environment (FEE)
Mihails Milehins
Alumnus, University of Southampton
Daniel Holdbrook
None, None
Thomas Piggot
None, None