Computational (DFT) Studies of Organometallic Complexes (Chemistry & Computer Science)
|This is an ongoing project.||
Contact DetailsProf Michael J Rose
The project will work side-by-side with synthetic chemists in lab to test the ability and validity of the computational methods and results.
Interest in computing and theoretical chemistry!
Strongly Preferred: CH 431, Inorganic Chemistry
Basic programming experience (any format) desired...
but not necessary
Availability during Summer is required.
Weekly group meetings (1-2 hours).
Research units given commensurate with 12+ hours labwork.
*Translating molecular structure files to computational format
*Explore the use of programs like: PC-GAMESS, Firefly, Jaguar
*Assisting graduate student research in this area
*Routine data entry and formatting
*Analysis of data output files
*Visual rendering of results in molecular graphics file
Note: training for all of these duties will be provided.
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