Francisca Sagredo

Graduate student
NS II 2106
(949) 824-0465

About me

Hello! I am currently a fourth year graduate student in the department of chemistry. I came to UCI after completing my BS in chemistry from the humid and tropical FIU in miami, FL.

Group Likes

Kieron bribes us with coffee and cookies. More realistically, I enjoy that our group has diverse research backgrounds. We have the added benefit of having our research projects cover many different types of systems, which keeps our group conversations interesting. Also, our weekly group and individual meetings help keep us on track, plus you get the added benefit of one-on-one time with the head honcho.

Research Summary

My current research covers three main areas. The first is developing and understanding ensemble density functional theory (EDFT) using the Hubbard dimer. EDFT is a time independent alternative to solve for multiple excitations, where TDDFT is typically used (but still has many limitations). You can check out my work on this in the publications page. The second area of research I am currently working on is method development of Thermal DFT, which is a close cousin to EDFT. Thermal DFT is particularly useful for understanding warm dense matter, inertial confinement fusion, and in a nutshell is what happens when you "turn on" the temperature in DFT. Finally, I am also a year-round intern at Sandia national laboratories, where I work on the development of a XC functional for heavier elements.

Publications with Kieron
3 results
[204] Confirmation of the PPLB Derivative Discontinuity: Exact Chemical Potential at Finite Temperatures of a Model System Sagredo, Francisca and Burke, Kieron, Journal of Chemical Theory and Computation 16, 7225-7231 (2020). (PMID: 33237784) [bibtex] [pdf] [doi] [arXiv]
[188] Accurate double excitations from ensemble density functional calculations Sagredo,Francisca and Burke,Kieron, The Journal of Chemical Physics 149, 134103 (2018). [bibtex] [pdf] [doi] [arXiv]
[178] Warming Up Density Functional Theory Smith, Justin C., Sagredo, Francisca and Burke, Kieron, Chapter in Frontiers of Quantum Chemistry 249–271 (2018). [bibtex] [pdf] [doi]
Publications without Kieron