Junior​/Assistant Specialist - Energy Decomposition Analysis; EDA​/M. Head-Gordon Group - Dept

The Department of Chemistry is seeking to fill a Junior or Assistant Specialist position in the Martin Head-Gordon Lab. Research in the Head-Gordon Lab centers on the development and application of methods that predict the electronic structure of interesting molecules. Exciting progress has occurred over the last decade to the extent that many ground state molecular properties are accurately and routinely calculated.

In cases of exotic transient species, theoretical approaches can in fact be the most feasible tool available. We seek to open new classes of chemical problems to study via electronic structure theory. Realization of this goal generally requires the coupling of fundamental quantum mechanics with large scale scientific computing.

Electronic structure theory is broad in scope with existing connections to many branches of experimental chemistry, and the potential for many more. Interesting molecules may range from diatomics through medium sized organic and inorganic species to adsorbate-surface systems. The molecules may be in their ground electronic state or they may be electronically excited. Time-independent properties such as geometric structure and relative energies are often of interest, or we may be concerned with transitions between levels and dynamical processes.

The Junior or Assistant Specialist will perform research on density matrix compression techniques in quantum chemistry, writing code in Python and C++, and gathering results. In addition, they will work on research involving chalcogen bonding, submitting quantum chemistry calculations, and writing a scientific paper.

Applicants must be authorized to work in the United States at the time of hire. Visa sponsorship is not available for this position.