Welcome

Graduate student and postdoctoral openings: (updated July 5, 2016)
At the moment the group has four graduate students and thus at maximum capacity. All postdoctoral positions are or have been filled. However, all of this may change on a 6-12 month time scale.
 
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

Polarization-driven catalysis via ferroelectric oxide surfaces paper published
July 6, 2016
Paper on “Polarization-driven catalysis via ferroelectric oxide surfaces” published in Physical Chemistry Chemical Physics DOI 10.1039/C6CP03170F . Describes NO direct...
June 8, 2016
After many productive years, Arvin graduated from Yale this May (2016) and, Ph.D. in hand, headed to Stanford University for a postdoctoral position in Prof. Jens Norskov...
May 16, 2016
A highly collaborative work on the importance of the double TiO2 termination of SrTiO3 vis a vis the properties of the fascinating monolayer FeSe superconductor. DOI 10.1103...
April 16, 2016
Arvin’s talk and paper on using ferroelectric surfaces to split water got some media attention.  The APS asked him to give a short presentation about his work to...
Pyroelectric cycle to split water
March 29, 2016
Water splitting using ferroelectrics!  Published in Journal of Materials Chemistry A.  Title and hyperlink “Ferroelectric oxide surface chemistry: water splitting via...
Unique elastic modes at BaTiO3/Ge interface paper published
March 11, 2016
Published in Physical Review Letters: “Engineered Unique Elastic Modes at a BaTiO3/Ge(001) Interface”.  Here, we show how the interface itself can imprint atomic-scale...
December 10, 2015
Congratulations to Alexandru to winning the 2016 D. Allan Bromley Graduate Fellowship in Physics.  See the news article link about it.
December 8, 2015
In order to tackle the effects of local physics (correlations) in large-scale calculations involving complex oxide interfaces and surfaces, we’ve generalized previous slave-...