Postdoctoral Research Position at the Ohio State University, Computational Chemistry/Molecular Spectroscopy
A postdoctoral position is open in the research group of Terry A. Miller, Department of Chemistry and Biochemistry, The Ohio State University. The project involves the simulation and analysis of spectra, and other observables, of molecules, particularly reactive chemical intermediates, which may not obey the Born-Oppenheimer approximation, but may be Jahn-Teller active. The successful candidate will develop appropriate theory and applicable computer codes to predict such molecules’ electronic and vibrational spectra, including rotational and electron-spin fine structure, to near-spectroscopic accuracy. In addition, the person will be involved in the analysis of specific experimental spectra to benchmark the quality of the theory and computational results. To accomplish these goals the person will run electronic structure calculations with the CFOUR quantum chemistry suite and use and extend our custom SOCJT software, and related codes, to describe the spectra. Much of the work involves collaborations with researchers at other universities, in particular John F. Stanton, University of Florida, with the quantum chemistry, and Jinjun Liu, the University of Louisville, with the experimental spectra. Additional details about some aspects of the research are available in two of our recent publications, “Vibronically coupled states: computational considerations and characterisation of vibronic and rovibronic spectroscopic parameters,” https://doi.org/10.1080/0144235X.2021.1874118 and “Rotational and fine structure of open-shell molecules in nearly degenerate electronic states. II. Interpretation of experimentally determined interstate coupling parameters of alkoxy radicals.”https://doi.org/10.1063/5.0026212
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