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Research Group



Dr Michael J G Peach
Michael is a post-doctoral research associate in the group, working on the development of TDDFT and its application to light-emitting complexes. He will be moving to Lancaster University in January 2013 to take up a Lectureship in the Department of Chemistry. Previously, he was a PhD student in the group, 2005-2009 (thesis entitled Modern Approaches to the Exchange-Correlation Problem ) and a post-doctoral research associate in Berlin, working with Professor Hardy Gross, 2009.


Jonathan D Gledhill MChem
Jon is a second year PhD student in the group, working on delocalisation error in DFT. He was previously an MChem student in the group, 2010-11.


Matthew T Baxter
Matt is a 4th year MChem undergraduate student undertaking his final year project in the group. He is working on the development of novel exchange-correlation functionals.


Maximilian A C Saller
Max is a 4th year MChem undergraduate student undertaking his final year project in the group. He is working on functional trends in electron affinities.


Recent Visitors


Professor Frank De Proft
Frank De Proft visited from Brussels on collaborative projects (negative affinities, temporary anions, confinement) in 2005, 2006, 2007, 2009, and 2012.
Professor Trygve Helgaker
Trygve Helgaker visited on sabatical from August 2006 until August 2007, from the University of Oslo. Collaborative projects included the study of structural and electronic properties of polymers and TDDFT.
Niko Van den Brande
Niko visited Durham from Brussels in 2012 as part of a collaborative project on understanding charge-transfer processes in polymeric systems.

Kseniya Vladimirova
Kseniya visited from the Russian Academy of Sciences, Moscow, in summer 2009, to investigate excited states in TDDFT.

Professor Alexander Bagatur'yants
Alexander Bagatur'yants visted from Moscow in summer 2009.
Dr. Miquel Torrent-Sucarrat
Miquel Torrent-Sucarrat visited from Brussels on a collaborative project in 2007.

Dr Erik I Tellgren
Erik Tellgren visited from Oslo on a collaborative project (polmer BLA) from 2006-2007.

Dr Nick Sablon
Nick Sablon visited from Brussels on a collaborative project (temporary anions) in 2007.

Dr Ola Lutnaes
Ola Lutnaes visited from Oslo on a collaborative project (rotational g tensors from OEP potentials), for 6 months, in 2005.
Professor Nicholas C Handy (1941-2012)
Nicholas Handy spent his sabatical leave in the research group, 2003.


Former Group Members

Dr Alex Borgoo
Alex was a Marie-Curie Fellow in the group between 2010 and 2012, working on the kinetic energy in density functional theory. He is currently working as a PDRA with Professor Trygve Helgaker, at the University of Oslo. Previously, Alex visited from Brussels on collaborative projects (confinement and reactivity) in 2006, 2008, and 2010.


Neil Warner MSci
Neil did his MSci undergraduate project in the group, 2011-12. His research focused on triplet instabilities in density functional theory.


Dr Austin D Dwyer
Austin received his PhD in 2011. Thesis entitled Weak interactions and excited states from Coulomb-attenuated DFT


Matthew J Williamson MSci
Matt was an EPSRC bursar in the group during summer 2010, working on excited states in TDDFT.


David G J Griffiths MSci
Dave did his MSci undergraduate project in the group, 2009-10. His research focused on the calculation of the non-interacting kinetic energy of density functional theory.

Dr Ruth Le Sueur
Ruth was a Daphne Jackson Fellow working jointly in the research groups of David Tozer and Jeremy Hutson, 2008-2009.


Paul Wiggins MChem
Paul did his MChem undergraduate project in the group, 2008-2009. His research focused on excited state surfaces in DFT (in collaboration with Dr J A Gareth Williams, Durham).


Dr Andrew M Teale
Andy received his PhD in 2006; he formerly did his MChem undergraduate project in the group. Thesis entitled Exchange Methods in Kohn-Sham Theory. He is presently working as a Royal Society URF in the Department of Chemistry at the University of Nottingham. He previously worked as a postdoctoral research fellow at the University of Oslo under the supervision of Prof. Trygve Helgaker.



John A Kattirtzi MChem
John did his MChem undergraduate project in the group, 2007-2008. His research focused on the Optimised Effective Potential Method.


Peter Benfield MChem
Peter did his MChem undergraduate project in the group, 2006-2007. His research focused on charge transfer excitations in DFT.
William T K Ng MSci
Will did his MSci undergraduate project in the group, 2005-2006

Dr Thomas W Keal
Tom received his PhD in 2005; he formerly did his MChem undergraduate project in the group. Thesis entitled Development of semi-empirical exchange-correlation functionals. Tom currently works in the Computational Chemistry Group of the STFC at Daresbury.
Dr Mark J Allen
Mark received his PhD in 2004; he formerly did his MChem undergraduate project in the group. Thesis entitled High quality electron densities as a tool in Kohn-Sham theory

Dr Giusy Menconi
Giusy received her PhD in 2003. Thesis entitled Exchange-correlation functionals from ab initio potentials
Dr Philip P Rushton
Phil received his PhD in 2003. Thesis entitled Towards a non-local density functional description of exchange and correlation
Dr Philip J Wilson
Phil was a post-doctoral research associate in the group, 2000-2001


Other undergraduates (not pictured) include Tom Bradley and David Grant.