UNIVERSITY OF ABERDEEN
RESEARCH FELLOW
16,286 - 18,185 pounds per annum
Required to work within the Department of Chemistry with Dr. Mark Law
on theoretical chemistry and molecular physics. The project which is
ESPRC funded will involve regular and close consultation and
interaction with Prof. Jeremy M. Hutson (Durham) and Prof. Jonathan
Tennyson (University College London). Funding is available for up to 3
years, starting on 1 September 2000. The Research Fellow will work on
the development of methods and general-purpose computer programs
adapted to the challenging problem of accurate calculation of
rotation-vibration quantum state energies and wavefunctions of
tetraatomic molecules exhibiting wide-amplitude motion. Applications
will include the spectroscopy and bonding of chemically bound and Van
der Waals systems. Applicants should have a PhD in a relevant area
with a good background in spectroscopy, theoretical chemistry,
chemical physics or scattering theory, and should be interested in and
talented at computational work.
Informal enquiries may be directed to Dr Mark M. Law, Department of
Chemistry, telephone 01224 272933 (UK) or +44 1224 272933 (International)
or e-mail [log in to unmask]
Application forms and further particulars are available from Human
Resources, University Office, University of Aberdeen, King's College,
Aberdeen AB24 3FX, telephone 01224 272727 (UK) or
+44 1224 272727 (International) or e-mail [log in to unmask]
Please quote reference number YCM008R
Completed forms, accompanied by a full curriculum vitae and the names
of three academic referees, must be received by the Human Resources
Office by 16 June 2000.
An Equal Opportunities Employer
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The "further particulars" are appended.
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+ Dr. M. M. Law +
+ +
+ Chemistry Department Tel (01224) 272933 (UK) +
+ University of Aberdeen Tel +44 1224 272933 (International) +
+ Meston Walk +
+ Aberdeen Tel 01224 272943 (secretary) +
+ AB24 3UE Fax 01224 272921 +
+ Scotland e-mail: [log in to unmask] +
+ +
+ World-Wide Web home page: http://www.abdn.ac.uk/~che194/ +
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Further Particulars
Aberdeen University reference number YCM008R
The Research Project and Job Description
Rovibrational Quantum States of 4-atom systems
Recent advances in experimental spectroscopy and the requirements of
atmospheric chemistry, astrophysics and combustion chemistry have led
to a need for the accurate prediction and understanding of the high
lying (wide-amplitude) vibration-rotation states of small molecules.
Great progress has recently been made in the variational calculation
of the vibration-rotation energy levels, wavefunctions and
spectroscopic transition intensities of triatomic molecules and such
calculations are now becoming routine (for closed-shell systems).
However high precision rotation-vibration calculations on tetraatomic
species represent an important frontier in the quantum molecular
dynamics field. Systems involving multiple minima and/or high
rotational excitation are particularly challenging and represent the
major targets of this project.
The Research Fellow will work with Dr. Mark Law to produce a suite
of computer codes usable by a wide research community and capable of
accurate calculations of the rovibrational bound state energies and
wavefunctions (and hence transition intensities) of all
closed-shell tetraatomic molecules and complexes.
The computer programs will be developed using Sun and Dec-Alpha
workstations in Aberdeen, with access to the Cray T3E parallel
supercomputer facility at Manchester (CSAR) for computationally
intensive work. There is also access to Departmental and central
University facilities. All the machines are of course fully networked,
with a well-integrated local Ethernet and access to remote sites via
SuperJanet.
There may be opportunities for the successful applicant to
participate in making research grant proposals and to undertake some
teaching duties.
Although based in Aberdeen, the Research Fellow will be expected to
collaborate with other groups in the UK, to ensure that the programs
developed are useful to the CCP6 community as a whole (see below). In
particular the project will involve regular and close consultation and
interaction with Prof. Jeremy M. Hutson (Durham) and Prof. Jonathan
Tennyson (University College London).
In addition to this research work, the Research Fellow will take a
role in coordinating CCP6 activities and helping to organise CCP6
Working Group meetings and conferences.
Interests of Research Groups Associated with the Project
Dr. Mark Law (Aberdeen):
Theoretical interpretation of molecular spectra; vibration-rotation
energy levels of small molecules; intramolecular vibrational energy
redistribution; determination of molecular potential energy surfaces;
computational chemistry using parallel computing methods; development
of the methodology of fitting physical models to data.
Further information on Mark Law's research group and the University of
Aberdeen is available at http://www.abdn.ac.uk/~che194/
Prof. Jeremy Hutson (Durham):
Theoretical chemical physics, especially: spectroscopy and dynamics of
Van der Waals complexes and clusters; intermolecular forces; molecular
collisions; spectroscopic lineshapes and the greenhouse effect.
Further information on Jeremy Hutson's research group is available at
http://www.dur.ac.uk/~dch0www/Staff/jmh/jmh.group.html
Prof. Jonathan Tennyson (University College London):
Theoretical atomic and molecular physics and astrophysics, including:
spectroscopy and collisions of atoms and molecules, fundamental
classical and quantal dynamics, the calculation of atomic and
molecular data for astrophysics, and modelling of both spectra and
atmospheres.
Further information on Jonathan Tennyson's research group is available at
http://www.tampa.phys.ucl.ac.uk/jonny/
The CCP6 Consortium
The Collaborative Computational Project on Heavy Particle Dynamics comprises
18 research groups who work together to maintain the United Kingdom's
high international standing in the field of molecular quantum dynamics.
CCP6 has developed considerable expertise in the effective use of
(massively) parallel computers, a vital contributing factor to the
consortium's considerable scientific impact over the last 25 years.
Further information on CCP6 and its activities is
available at http://www.cse.clrc.ac.uk/Activity/CCP6
The City of Aberdeen
Aberdeen (also known as the "Silver City" or the "Granite City") is a
medium size, historic University city in the north-east of
Scotland. In addition to the University, its attractions include a
rich cultural (including architectural) heritage, a strong local
economy, and easy access to attractive coastlines and lowland and
highland areas which offer superb opportunities for (hill)walking and
skiing.
Further information on the City of Aberdeen is available at
http://www.abdn.ac.uk/central/abdn/index.hti
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