Two post-doc position are available immediately in Quantum Theory Project, University of Florida. The Principal Investigator is Prof. Sam Trickey. Co-Principal Investigators are Profs. Jim Dufty (Florida) and Antonio Cancio (Ball State).

We focus on density functional development and innovation, both ground state  and finite-temperature. One project is to advance de-orbitalized and orbital-free ground-state
exchange-correlation functionals. An example of recent progress is Phys. Rev. B 102, 121109(R) (2020).   Challenges include analysis of the consequences of de-orbitalization upon constraint satisfaction, numerical stability of density-Laplacian-containing functionals, and first principles construction of orbital-free meta-GGAs. The other project is more on the free-energy DFT side, including systematic free energy extension of the
very new r²SCAN-L orbital-free meta-GGA exchange-correlation functional, exploration of a novel approach to atomic shell-structure in a single-point, orbital-free kinetic energy density functional, and extension of time-dependent DFT to non-zero temperature
without certain restrictive assumptions in the proofs. Examples of relevant prior work include Phys. Rev. B 101, 075116 (2020) and Phys. Rev. E 98, 033203 (2018).

Both positions require a solid background in many-electron theory as well as demonstrated ability to render new schemes in major electronic structure codes. Positions are tenable for up to 3 years.

Interested candidates should send a current curriculum vitae (including publication list) and contact information (email and phone numbers) for three references to Prof. Sam Trickey, trickey at ufl.edu The group web site is http://www.qtp.ufl.edu/ofdft.