Welcome

Graduate student and postdoctoral openings: (updated March 10, 2020)
At the moment the group is in flux: the number of members this summer is small but we plan to expand soon with new hires coming on board.  At present, all postdoctoral positions that were open have been filled.  Graduate student admissions are now done (since February 2020) with the incoming graduate student class sizes determined. We will post a note here if there are openings; generally, this status changes on a 6-12 month time scale.
 
Public software releases:
1. BoSS slave-boson code released July 13 2018. 
2. OpenAtom GW code released September 3 2018.
 
Our research group studies condensed matter systems, often in the solid state, using first principles or ab initio electronic structure methods. We are part of
  • Yale Applied Physics at Yale University
  • Yale Physics and the Condensed Matter Theory Group
  • CRISP: Yale’s NSF MRSEC center
We study the physics of condensed matter systems, usually the solid state, using first principles or ab initio methods. We solve the quantum mechanical many-body problem of interacting electrons and ions to the best of our abilities, with the fewest approximations possible, and with no adjustable parameters or fitting. The cost is that the calculations must be done numerically and can be quite difficult to perform. The advantage is that the results are generally reliable and accurate, and hence can be compared with confidence to experimental findings to help understand, clarify, and even predict observed physical phenomena.
 
The reliability also implies that we can use ab initio modeling as an ideal virtual laboratory to study microscopic physical phenomena. By ideal we mean that the physical setup (atomic positions, boundary conditions, imposed fields, etc.) is specifiable and modifiable at will.
 

News

September 19, 2017
This Nature Materials Review outlines the growing importance of picometer scale structural motifs for control and design of functional materials.  The picoscale is the...
August 11, 2017
How do we choose the “best” non-interacting description of an interacting electron system in a rigorous manner?  This work shows that the quasiparticle self-consistent...
August 8, 2017
Subhasish’s work on DFT+DMFT to understand the strength and effects on electronic correlations on the electronic properties of monolayer FeSe on SrTiO3.  Work was done...
August 1, 2017
Mehmet’s work on the BaTiO3/Ge epitaxial interface published.  This detailed work describes multiple interfacial structures, the polarization profiles in the BaTiO3,...
May 22, 2017
Alexandru and Mehmet officially received their Physics Ph.D. degrees today so we did the dressup routine.  Congratulations to both!
May 19, 2017
In collaboration with Prof. Robert’s Klie group at UIC and Charles Ahn’s group at Yale, the real-space electronic structure of titante/nickelate interfaces...
March 7, 2017
Congratulations to Drs. Alexandru B. Georgescu and Mehmet Dogan who defended their Ph.D.s successfully on March 1st and March 7th, respectively.
January 9, 2017
SnTe is a topological crystalline insulator.  This paper describes growth of films on SrTiO3 substrates and characterization including STM (which is compared to theory).  ...
December 1, 2016
Amazingly, SiO2 can be made into a stable 2D material!  Here, we mainly study how strain affects the structure of 2D silica and how counter-ions also affect structural...
September 30, 2016
PRL published on RIXS studies of charge-transfer interfaces of nickelates.  Most of the large orbital polarization stems from anisotropic hybridization of Ni and O orbitals...