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 ----------------------------------------------------------------------------- The "further particulars" are appended. +---------------------------------------------------------------------+ + 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/ + +---------------------------------------------------------------------+ ----------------------------------------------------------------------------- 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 ----------------------------------------------------------------------------- %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%