POSTDOCTORAL POSITION
IN THEORETICAL/COMPUTATIONAL CHEMISTRY
TEXAS TECH UNIVERSITYDEPARTMENT OF CHEMISTRY AND BIOCHEMISTRYAND THE HIGH PERFORMANCE SUPERCOMPUTER CENTER LUBBOCK, TEXAS One postdoctoral position is currently available in the group of Professor Jorge A. Morales at Texas Tech University. The starting date for the position is immediate with total funding for a period of two years and seven months from 11/01/02 and at a competitive salary. The group is developing novel approaches to quantum/classical (Q/C) theories for both time-independent (electronic structure) and time-dependent (dynamic) processes in systems of biophysical and biochemical interest. A unifying element in all our approaches is the systematic use of different types of completely new and /or less known coherent states for both nuclear and electronic degrees of freedom. Present projects include: 1. The further development of new Q/C models [J. Phys. Chem. 105, 2842 (2001)] rigorously derived from the valence bond (VB) theory theory with emphasis on (a) the description of charge transfer processes, (b) the model’s extension to include solvent effects, and (c) the model’s relationship with statistical mechanical methods. 2.
The
further development of the Electron Nuclear Dynamics (END) theory
[Rev. Mod. Phys. 66, 917 (1994), Chem. Phys. Lett. 279,
241 (1997), J. Chem. Phys. 107, 6146 (1997) and 103, 9968
(1995)] for electron transfer processes in large systems via
coherent-state formulation of the quantum Lagrangian.
This theory will also incorporate the above-mentioned Q/C and
solvent models, and semi-empirical methods. Our group has almost unlimited access to ample computational resources such as a SGI/Cray Origin 2000 supercomputer with 56 nodes at the Texas Tech University High Performance Computer Center (HPCC, Reese Center), and two Beowulf clusters with 32 and 24 nodes, respectively, on campus. In addition, the group is developing its own Beowulf cluster of Linux PC’s. Candidates must have a sound background in theoretical chemistry. Proficiency in Fortran programming and familiarity with Unix/Linux environments are essential. Applicants with proven programming experience in electronic structure codes, such as GAMESS, Gaussian, ACES II, Jaguar, Molpro, and the likes, and/or in molecular mechanics codes, such as Amber, CHARMM, and the likes will be highly considered. Experience in C/C++ programming, familiarity with biological systems, and/or good analytical skills are also desirable assets but are not mandatory. The initial appointment is for one year with possible
renewal for a second year based upon satisfactory
performance and mutual agreement. Interested
applicants should e-mail to the address shown below: (a) a cover
letter, thereby briefly indicating past scientific experience and
present research interests, and (b) a CV including a list of references
together with their complete contact information. Electronic submission
of application materials and inquiries in the form of Word and/or .pdf
file attachments is preferred. Candidates
should also arrange to have two or three letters of recommendation sent
to the same address. Quick
e-mail submission of the recommendation letters followed by their signed
hard copies via regular mail is preferred. Reprints of the applicant’s
most relevant papers are welcome. Please, send applications and inquiries to:
Jorge A. Morales Assistant Professor Texas Tech University, Department of Chemistry and Biochemistry, Box 41061 Lubbock, TX 79409-1061
e-mail: jorge.morales@ttu.edu http://webpages.acs.ttu.edu/jomorale
Phone: (806) 742-3094; Fax: (806)-742-1289
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