POSTDOCTORAL POSITION
IN THEORETICAL/COMPUTATIONAL CHEMISTRY
TEXAS TECH UNIVERSITY
DEPARTMENT OF CHEMISTRY AND BIOCHEMISTRY
AND THE HIGH PERFORMANCE
SUPERCOMPUTER CENTER
LUBBOCK, TEXAS
At least one, possibly two, postdoctoral position(s) is (are) currently
available in the group of Professor Jorge A.
Morales at Texas Tech University. The group is developing novel approaches
to quantum/classical (Q/C) theories
for both time-independent (electronic structure) and time-dependent
(dynamical) processes in systems of biophysical
and biochemical interest.
Present projects include:
1. The further development of a new Q/C model rigorously derived from
valence bond (VB) theory with emphasis
on (I) the description of charge transfer processes, (II) the
model's extension to include solvent effects, and (III)
the model's relationship with statistical mechanical methods.
Specific applications in this area will be to
metal-water ions, enzymatic centers and protein dynamics.
2. The rigorous extension of the Electron Nuclear Dynamics (END) theory
for electron transfer processes [Rev. Mod. Phys.
66, 917 (1994), CPL 279, 241 (1997), JCP 107, 6146 (1997) and 103,
9968 (1995)] to multiple surface dynamics via a
coherent-state formulation of the quantum Lagrangian. This theory
will also incorporate the above-mentioned Q/C
and solvent models, and semi-empirical methods to address large
systems. Specific applications will be directed to
time-dependent electron-transfer and multi-surface dynamics in
biological systems.
Candidates must have a strong 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 appointment(s) is (are) for one year with possible renewal for a second
year based upon satisfactory performance
and funding availability. Interested applicants should e-mail/mail: a cover
letter, thereby briefly indicating past scientific experience
and present research interests, and a CV, including a list of references
together with their complete contact information, to the
address shown below. Electronic submission of application materials and
inquiries, even in the form of Word and/or .pdf file
attachments, is preferred. Candidates should also arrange to have three
letters of recommendation sent to the same address.
Reprints of the applicant's most relevant papers are welcome.
Texas Tech University is an aggressively growing research institution that
counts amongst its many facilities a
SGI/Cray Origin 2000 supercomputer with 56 nodes and with a
Alias/Wavefront's Maya software to perform computer animations
at the High Performance Computer Center (HPCC, Reese Center).
The city of Lubbock is a picturesque town in Northwestern Texas, halfway
between Dallas and Santa Fe (NM), the latter
the high cultural center of the Southwest region and an architectural
gemstone from the Spanish Empire. Skiing and hiking
resorts in Ruidoso (NM) are only four hours away. The city of Boulder (CO)
is reasonably close too.
Texas famous wineries are just in town.
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: [log in to unmask]
http://www.ttu.edu/~chem/faculty/morales/morales.html
Phone: (806) 742-3094; Fax: (806)-742-1289
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Jorge A. Morales
Assistant Professor
Texas Tech University
Dept. of Chemistry and Biochemistry (039)
Box 41061
Lubbock, TX 79409-1061
(806) 742-3094 (voice); (806) 742-1289 (fax)
[log in to unmask]
www.ttu.edu/~chem/faculty/morales/morales.html
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