Our group is focussed on quantum chemical method development, particularly based around density-functional theory in the DALTON
program packages. We are based at the School of Chemistry, University of Nottingham
. To discuss joining the group please contact Dr. Andy Teale at firstname.lastname@example.org Current Members
Andy is the group leader and presently a Royal Society
University Research Fellow at the University of Nottingham
and Adjunct Associate Professor at the University of Oslo
. See below for a brief biography. Contact details in each location are given below. Jan Zemen
Jan joined the group as a postdoctoral researcher in January 2016 working on the development of new exchange-correlation functionals in current density-functional theory. James Furness
James is presently a PhD student in the group working on the development of current-dependent Kohn--Sham density-functional approaches. James undertook a 4th year project in the group in 2012-13, winning the King memorial medal for outstanding work in his physical chemistry research project on calculating the properties of molecules in magnetic fields using current-dependent density-functional theory. Tom Irons
Tom joined the group in 2014 and is now undertaking a PhD. His research focusses on the use of ab initio
energy densities as a key variable in the development of density-functional approximations for the exchange-correlation energy. Matthew Ryley
Matthew undertook a summer project in 2013 funded by the Royal Society. His work included the implementation of a novel short-range corrected density functional based on the combination of multiple error-function attenuated electronic interactions. He then took up a fourth year project in the group on orbital-free density-functional theory. He received the the 2015 King memorial medal for outstanding work in his physical chemistry research project. Matthew is presently a PhD student in the group.Previous Members
Michael joined the group in 2015-16 to undertake a 4th year research project on orbital-free density-functional theory.
Sam joined the group in 2015-16 to undertake a 4th year research project on alternative representations of the correlation energy in density-functional theory.
Joe joined the group in 2014-15 to undertake a 4th year research project on implementing and assessing time-independent routes to excited states in density-functional theory.
Imran joined the group in 2014-15 to undertake a 4th year research project on the development of new approaches to determine the correlation energy in density-functional theory from the adiabatic connection.
Chi joined the group in 2013-14 to undertake a 4th year research project on the development of new approaches to calculate NMR spin-spin coupling constants using density-functional theory. His 4th year project was recognised by the award of the 2014 King memorial medal for outstanding work in his physical chemistry research project.Joachim Verbeke
Joachim joined the group this year to undertake a 4th year research project investigating functionals for use in current-density-functional theory for the calculation of the properties of molecules in magnetic fields. Visitors
We maintain close links with researchers at the Centre for Theoretical and Computational Chemistry
(CTCC), University of Oslo. A number of researchers have visited Nottingham
Prof. Trygve Helgaker - director of CTCC
Dr. Erik I Tellgren - Primary author of the LONDON program for the study of molecules in strong magnetic fields
Dr. Ulf Ekström - Author of the XCFUN package for the implementation of density functionals and their derivatives
Dr. Alex Borgoo - Researcher at CTCC and previously a Marie Curie fellow at the University of Durham working on excited states in DFT and orbital-free DFT
Dr. Elisa Rebolini - Researcher at CTCC with research interests in novel time independent approaches to excited states inDFT and GW theory
Stefan Vukovic - PhD student in the group of Paola Gori-Giorgi at Vrije Universiteit in Amsterdam
We also maintain collaborative links with a number of international groups at other institutions (see links page
) and some of these have visited Nottingham to give seminars as part of the Physical Chemistry Seminar programme.