08.12.2014, â 18:10, Jorge A. Morales ïèñàë(à):
> One postdoctoral position in theoretical/computational chemistry is
> available immediately in the group of Prof. Jorge A. Morales in the
> Department of Chemistry and Biochemistry at Texas Tech University
> (TTU), Lubbock, Texas. The appointed postdoctoral associate will
> develop, code, and apply electron nuclear dynamics (END)
> methodologies to study ion cancer therapy reactions [See C. Stopera
> et al. Advances in Quantum Chemistry, Vol. 66, Chapter 3, 113-194
> (2013) and A. Privett et al. Chemical Physics Letters 603, 82-88
> (2014)]. END is a time-dependent, variational, non-adiabatic,
> direct-dynamic framework to simulate chemical reactions. END treats
> nuclei and electrons simultaneously and incorporates various
> electronic structure methods in its framework. The described
> project will concentrate on the implementation of methodologies,
> algorithms, and parallel-code schemes to make END applicable to
> large systems of biochemical and biological relevance.
>
> The ideal candidate should have demonstrated experience with
> theoretical developments and code implementations of electronic
> structure methods (e.g. Hartree-Fock theory, density functional
> theory, semi-empirical methods and/or coupled cluster theory),
> preferably in the context of “on-the-fly” direct-dynamics methods
> but not necessarily so. The project will involve programming in
> FORTRAN 90-95, C++, and Python. At a minimum, the proper candidate
> must have a strong command of either FORTRAN 90-95 or C++ and be
> able to improve his/her knowledge of or learn about the other two
> languages quickly. The project may involve the use of the domain
> specific parallel language SIAL of the ACES III program of the
> Bartlett’s group; if so, proper training on SIAL will be provided.
> Experience with linear-scale methods and/or with MPI-based parallel
> code development is desirable. Previous experience in ion cancer
> therapy research, even with Monte Carlo methods, is an asset, but
> it is not required.
>
> The initial appointment will be for a period of one year, renewable
> for a second year upon mutual consent. Please e-mail application
> including CV with a list of publications to Prof. Jorge A. Morales,
> [log in to unmask] Applicants must also have two letters of
> recommendation sent directly to the above-mentioned e-mail address.
> Informal inquiries via email about this position are welcome.
>
> Jorge A. Morales
> ---------------------------------------
> Jorge A. Morales
> Associate Professor
> Director of the Chemistry Computer Cluster
> Texas Tech University
> Dept. of Chemistry and Biochemistry (039)
> Box 41061
> Lubbock, TX 79409-1061
> (806) 834-3094 (voice); (806) 742-1289 (fax)
> [log in to unmask]
> http://courses.ttu.edu/jomorale/
>
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