CASTEP
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Projects
Ab initio simulations of chemical reactions on platinum nanoparticles
Chris-Kriton Skylaris (Investigator), Álvaro Ruiz-Serrano, Peter Cherry
•Use first principles calculations to study the relationship between shape and size of nanoparticle and the oxygen adsorption energy.
• Investigate the effect of high oxygen coverage on the catalytic activity of the nanoparticles.
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.
Hybrid quantum and classical free energy methods in computational drug optimisation
Jonathan Essex, Chris-Kriton Skylaris (Investigators), Christopher Cave-Ayland
This work is based around the application of thermodynamics and quantum mechanics to the field of computational drug design and optimisation. Through the application of these theories the calculation of the physical properties of drug-like molecules is possible and hence some predictive power for their pharmaceutical activity in vivo can be obtained.
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.
People
Professor, Chemistry (FNES)
Professor, Engineering Sciences (FEE)
Reader, Electronics and Computer Science (FPAS)
Reader, Optoelectronics Research Centre
Lecturer, Mathematics (FSHS)
Lecturer, Engineering Sciences (FEE)
Lecturer, Chemistry (FNES)
Senior Research Fellow, Chemistry (FNES)
Senior Research Fellow, Biological Sciences (FNES)
Research Fellow, Chemistry (FNES)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Civil Engineering & the Environment (FEE)
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Chemistry (FNES)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Chemistry (FNES)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Chemistry (FNES)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Electronics and Computer Science (FPAS)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Postgraduate Research Student, Engineering Sciences (FEE)
Administrative Staff, Research and Innovation Services
Administrative Staff, Civil Engineering & the Environment (FEE)
Alumnus, University of Southampton
External Member, NAG Ltd, Oxford
None, None