The Group
Our group is focussed on quantum chemical method development, particularly based around density-functional theory in the
QUEST,
DALTON and
LONDON program packages. We are based at the
School of Chemistry, University of Nottingham. To discuss joining the group please contact Dr. Andy Teale at andrew.teale@nottingham.ac.uk
Current Members
Andy TealeAndy is the group leader and presently Assistant Professor in Theoretical and Computational Chemistry and a
Royal Society University Research Fellow at the
University of Nottingham. He is also Adjunct Associate Professor at the
University of Oslo. See below for a brief biography. Contact details in each location are given below.
Tom IronsTom 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 RyleyMatthew 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
Jack ElsdonJack did his masters research project in the group in 2016-17. He worked on the implementation of range-separated methods in current-density-functional theory.
Jan ZemenJan joined the group as a postdoctoral researcher in January 2016 working on the development of new exchange-correlation functionals in current density-functional theory. In March 2017 Jan took up a position at the technical University in Prague.
James FurnessJames was 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. James is now a Postdoctoral researcher in the group of Jianwei Sun.
Michael WithnallMichael joined the group in 2015-16 to undertake a 4th year research project on orbital-free density-functional theory.
Sam GaughanSam joined the group in 2015-16 to undertake a 4th year research project on alternative representations of the correlation energy in density-functional theory.
Joseph Thickpenny-RyanJoe 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 ShafiImran 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 ChengChi 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 VerbekeJoachim 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.
VisitorsWe 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.
Contact Details
Nottingham
