(4z) Rare Earths and Computational Techniques

I am looking for a postdoctoral position. I expect to obtain my PhD in Chemical Engineering from the University for Nevada, Reno in 2022. The research for my doctorate focuses on resolving chemical and physical properties of rare earth elements, or lanthanides, in solution and in zeolites. Coordination structures, ion exchange constants, and acidity constants, are predicted with molecular simulation and computational chemistry methods, chiefly density functional theory (DFT) and ab initio molecular dynamics (AIMD), combined with rare event simulation techniques. Spectroscopy measurements are done to support predictions from computation. In one project, we identified the coordination of lanthanum in faujasite, and determined how lanthanum changes the acidity of the zeolite, in the context of faujasite hydrothermal stability, which has applications in petroleum cracking. Starting August 2022, I am interested in postdoctoral positions that leverage my computational skills and knowledge on lanthanides and porous materials. I would like to further my experience into other molecular simulation techniques such as classical molecular dynamics, Monte Carlo, and/or electronic structure methods. I am open to new research directions, and particularly interested in gaining more experimental experience with spectroscopy, such as EXAFS, as well as expand my knowledge areas into actinides and the nuclear fuel cycle.