Graduate student and postdoctoral openings: (updated July 14, 2018)
At the moment the group is at maximum capacity. All postdoctoral positions have been filled.  We will post a note here if there are openings to that effect.  Generally, this status changes on a 6-12 month time scale.
Public software release:  BoSS slave-boson code released July 13 2018!  See the news link
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.


BoSS code: electron described as separate charge and spin
July 13, 2018
We are happy to announce the public release of the slave-boson code “BoSS” (Boson Slave Solver) today!  This is a free software avaialble to you to perform slave-boson...
Scaling and local bonding motif of lone-pair systems
June 4, 2018
The paper “Nature of Lone-Pair–Surface Bonds and Their Scaling Relations” is out! It describes how an important class of molecules with active 2p lone pair electrons (water,...
December 18, 2017
A record mobility change at the LaNiO3 / Pb(Zr0.5Ti0.5)O3 is designed theoretically and observed experimentally.  The structural modifications of the interface drive the...
December 15, 2017
A ZrO2 monolayer on Si (001) is shown to be ferroelectric using first principles theory as well as experiment.  This represents a new class of ferroelectrics and the thinnest...
October 17, 2017
Alexandru’s nice work explaining why it has been difficult to get symmetry breaking in slave-boson theories as well as how to fix this problem is now out.  A nice work...
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!