Computational Modelling Group

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Projects

Control and Prediction of the Organic Solid State

Richard Boardman

This project aims to produce a computer technology for the prediction of the crystal structure(s) of an organic molecule, that could be used even prior to the synthesis of the compound.

Such a computational study could be done relatively quickly to predict the dangers and opportunities of the solid phases of a molecule under development. Our project will develop the methods of experimental screening for polymorphs and their characterisation, and hence the combination will provide a major new technology for aiding industrial formulation.

Modelling Macro-Nutrient Release & Fate Resulting from Sediment Resuspension in Shelf Seas

Chris Wood

This study involves adapting a previously-published model to take into account the effect resuspension events (both natural and anthropogenic) may have on nutrient dynamics at the sediment-water interface, and hence produce better estimates for the total nutrient budgets for shelf seas.

ยต-VIS Computed Tomography Centre

Ian Sinclair, Richard Boardman, Dmitry Grinev, Philipp Thurner, Simon Cox, Jeremy Frey, Mark Spearing, Kenji Takeda (Investigators)

A dedicated centre for computed tomography (CT) at Southampton, providing complete support for 3D imaging science, serving Engineering, Biomedical, Environmental and Archaeological Sciences. The centre encompasses five complementary scanning systems supporting resolutions down to 200nm and imaging volumes in excess of one metre: from a matchstick to a tree trunk, from an ant's wing to a gas turbine blade.

People

Andrew Collins
Professor, Medicine (FM)
Simon Cox
Professor, Engineering Sciences (FEE)
Jeremy Frey
Professor, Chemistry (FNES)
Ian Sinclair
Professor, Engineering Sciences (FEE)
Mark Spearing
Professor, Engineering Sciences (FEE)
Kenji Takeda
Senior Lecturer, Engineering Sciences (FEE)
Denis Kramer
Lecturer, Engineering Sciences (FEE)
Philipp Thurner
Lecturer, Engineering Sciences (FEE)
Reno Choi
Senior Research Fellow, Geography (FSHS)
Richard Edwards
Senior Research Fellow, Biological Sciences (FNES)
Richard Boardman
Research Fellow, Engineering Sciences (FEE)
Dmitry Grinev
Research Fellow, Engineering Sciences (FEE)
Bogdan Ibanescu
Research Fellow, Chemistry (FNES)
Gunnar Mallon
Research Fellow, Geography (FSHS)
Jordi Arranz
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Leo Jofeh
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Chris Wood
Postgraduate Research Student, Ocean & Earth Science (FNES)
Davide Zilli
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Elena Vataga
Technical Staff, iSolutions
Petrina Butler
Administrative Staff, Research and Innovation Services
Kieren Lythgow
Alumnus, Health Protection Agency
Mohsen Mesgarpour
Alumnus, University of Southampton
Daniel Pope
External Member, Mauve Internet Ltd.