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A computational/theoretical chemical physics position is available
in the group of Bill Poirier at Texas Tech University (TTU), to further 
develop existing "ScalIT" parallel quantum dynamics codes for tera- 
and peta-scale supercomputers, and to apply these codes to extremely 
challenging molecular problems such as computing the rovibrational 
spectroscopy and excited state tunneling splittings of malonaldehyde.

This NSF-funded research project will make extensive use of the brand
new 1200-core Computational Chemistry Cluster (dedicated for the primary 
use of the computational groups within the Dept. of Chemistry), although 
a larger, shared-use TTU facility is also available (~3000 cores). The 
project also includes a strong cyberinfrastructure component, in that 
the developed ScalIT codes will be made available to non-expert users, 
and likely ported to much larger-scale NSF and/or DoE computational 
facilities. Corresponding outreach efforts include some student training, 
and interaction with collaborators and users from other institutions.

It is expected that the person hired will play a central and highly 
visible role in most or all of the above activities. Although recent 
Ph.D. graduates will be considered for the position, the ideal candidate 
will be a "senior research associate" with extensive experience in both 
quantum dynamics methodologies and parallel code development. Some 
quantum chemistry background would also be a desirable asset, as would 
good analytical/mathematical skills. 

SALARY IS HIGHLY FLEXIBLE, and will be commensurate with experience, 
skills, and likely productivity. 

Depending on the goals and suitability of the applicant, the initial 
appointment can be for anywhere from one to three years, with possible 
subsequent renewal. Given the project nature and goals, a longer time 
frame is preferred. Moreover, this work may lead to new grant funding 
opportunities, for which a suitably experienced candidate might be 
strongly encouraged to serve as co-PI. Interested candidates should send 
a CV to the address listed below, and should also arrange to have two or 
more letters of recommendation sent.  Please direct all correspondence to:

          Bill Poirier, Professor
          Texas Tech University
          Department of Chemistry
          Box 41061
          Lubbock, TX 79409-1061

          email:  [log in to unmask]
          tel:    806-742-3099
          fax:    806-742-1289                          

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