The Chemical Sciences and Engineering Division (CSE) invites you to apply for a Postdoctoral Appointee position within the AMO Physics group. We study fundamental x-ray and optical interactions with atoms and molecules in gases, clusters, and liquids, laying foundations for understanding, imaging and controlling chemical dynamics on atomic time- and length-scales.

In this role you will develop and/or extend first-principles theoretical frameworks and electronic structure methods for one or both projects:

• Investigation of x-ray induced electronic and nuclear dynamics in gas and condensed phase systems and the associated spectroscopic observables [1].  The effects of molecular bonding, multistep inner-shell cascades, electron transfer dynamics and many-electron interaction will be considered

• Ultrafast molecular chirality probes by nonlinear X-ray techniques [2] such as chiral Stimulated X-ray Raman Spectroscopy (SXRS) using stochastic beams. Possible applications with electronic dynamics include bimetallic chiral metal complexes, chiral heterodimers and small chiral molecules. Chiral nuclear dynamics involving conical intersections such as the racemization of transition metal complexes or the ring opening of cyclohexadiene will be considered

• Perform computer simulations on high performance computers at Advanced Leadership Computing Facility (ALCF) in support of ultrafast x-ray experiments at synchrotron and free-electron laser facilities

• Contribute to experimental beamtimes and writes journal publications

• Interact and perform collaborative research with Argonne and external collaborators and remains knowledgeable of progress in relevant fields of research

Position Requirements

• Ph.D. degree level with 0 to 3 years of experience or equivalent in physics, chemistry, or physical chemistry

• Considerable knowledge of and experience in theoretical AMO physics or quantum chemistry; Good skill in conceiving and implementing computational/numerical methods. Familiarity with parallel programming on CPUs/GPUs desirable. Experience with C++, Fortran, and /or python. Interest in AI/ML models

• Interest in ultrafast x-ray science, free-electron laser or synchrotron sources and development of theoretical models to facilitate the interpretation of measurements

• Good ability to communicate scientific information orally and in written reports and publications

• Ability to work independently.  Ability to work effectively as a member of a multidisciplinary research group

[1] A. E. A. Fouda, et. al., “Resonant double-core excitations with ultrafast, intense x-ray pulses,” Mol. Phys., e2133749 (2022); P. J. Ho, et. al. , “X-ray induced electron and ion fragmentation dynamics in IBr,” J. Chem. Phys. 158, 134304 (2023).

[2] J. R. Rouxel and S. Mukamel, “Molecular chirality and its monitoring by ultrafast x-ray pulses,” Chemical Reviews, 122(22), 16802-16838, (2022).

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