Post-Doctoral Position in Theoretical/Computational Chemistry:
Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas
(Posted: 01/01/2012)
One postdoctoral position in theoretical and computational chemistry is available February 1, 2012 (or as soon as possible thereafter) in the group of Assoc. Prof. Jorge A. Morales in the Department of Chemistry and Biochemistry at Texas Tech University (TTU), Lubbock, Texas. This project will include collaboration with Dr. Ajith Perera, senior scientist at the University of Florida and joint faculty member at TTU. The postdoctoral associate will develop and implement predictive-quality coupled-cluster (CC) and many-body-perturbation theory (MBPT) methods to simulate electron paramagnetic resonance (EPR) spectra of doublets and higher-spin states of molecules (See J. Chem. Phys. 100, 1425, 1994, and “Magnetic Atoms and Molecules”, William Weltner Jr., 1983, Dover, NY). Methods applications will focus on various petroleum-related species. The described project will be conducted with the computational resources in the TTU High Performance Computer Center: http://www.hpcc.ttu.edu/ , and the new Chemistry Computer Cluster laboratory:
http://www.depts.ttu.edu/chemistry/Facilities/chemistry_celebrates_opening_of_renovated_room.php
The ideal candidate should have demonstrated experience with theoretical development and code implementation of CC and MBPT and/or CC and CC response and CC equation-of-motion methods, and the familiarity with the codes ACES II and/or III. However, candidates possessing demonstrated experience with comparable post-Hartree-Fock methods and/or comparable high-performance codes will be seriously considered. Code-developer experience with FORTRAN 90-95 is essential for this position. Experience with MPI-based parallel code development in FORTRAN 90-95 is desirable. The candidate must be able to work or learn to work with domain specific parallel software such as SIAL (http://qtp.clas.ufl.edu/ACES/docs.shtml ). Good analytical and English-writing skills are expected. Candidates lacking code development skills and/or experience limited to performing calculations using unmodified commercial codes will not be considered.
The initial appointment will be for a period of one year, renewable for a second year upon mutual consent. Please e-mail inquires and applications including CV to Assoc. Prof. Jorge A. Morales, jorge.morales@ttu.edu. Applicants must also have two letters of recommendation sent directly to the above-mentioned e-mail address. All inquiries about this position are welcome.
Jorge A. Morales
Associate Professor
Department of Chemistry and Biochemistry (039)
Texas Tech University
Box 41061
Lubbock, TX 79409-1061
(806) 742-3094 (voice); (806) 742-1289 (fax)