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 Teale

Andy 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 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

Jack Elsdon

Jack 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 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. In March 2017 Jan took up a position at the technical University in Prague.

James Furness

James 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 Withnall


Michael joined the group in 2015-16 to undertake a 4th year research project on orbital-free density-functional theory.

Sam Gaughan

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.

Joseph Thickpenny-Ryan

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 Shafi


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 Cheng

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.


Contact Details



Nottingham

Postal Address:




In Person:



Email:

Telephone:
Andy Teale,
Department of Physical and Theoretical Chemistry
University of Nottingham, University Park,
Nottingham NG7 2RD

Room B32, School of Chemistry,
University of Nottingham, University Park,
Nottingham NG7 2RD (map)

andrew.teale@nottingham.ac.uk

+44 115 846 8482

Oslo

In Person:


Email:
Room V220, Department of Chemistry, Sem Sælends vei 26,
N-0371, Oslo (map)

a.m.teale@kjemi.uio.no


Brief Biography


Andy grew up in the town of Birstall, West Yorkshire, UK, close the the city of Leeds.

A brief summary of his career to date is given below.
2016 - Present:


2012 - Present:


2012 - Present:







2010 - 2012:





2009 - 2010:
2006 - 2009:






2003 - 2006:







1999 - 2003:
Assistant Professor in Theoretical and Computational Chemistry,
University of Nottingham, UK
Royal Society University Research Fellow, School of Chemistry,
University of Nottingham, UK
Adjunct Associate Professor, Centre for Theoretical and Computational
Chemistry (CTCC), Department of Chemistry, University of Oslo, Norway;
Supported by the ERC Advanced Investigator Grant Project ABACUS,
Grant No. 267683, awarded to Prof. Trygve Helgaker
Researcher, Centre for Theoretical and Computational Chemistry (CTCC),
Department of Chemistry, University of Oslo, Norway; Supervisor
Prof. Trygve Helgaker, Supported by the Research Council of Norway
Temporary Lecturer, Department of Chemistry, University of Oslo
Postdoctoral Researcher, Centre for Theoretical and Computational
Chemistry (CTCC), Department of Chemistry, University of Oslo,
Norway; Supervisor Prof. Trygve Helgaker, Supported by
the Research Council of Norway
PhD. in Quantum Chemistry,
Title: “Exchange Representations in Kohn-Sham Theory”,
Department of Chemistry, University of Durham, UK; Supervisor
Prof. David J. Tozer, supported by the Engineering and Physical Sciences
Research Council (EPSRC)
M. Chem. (Hons) in Chemistry Class I, University of Durham, UK
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