Colloquium Schedule

Colloquium: Thursday, January 25, 4:10 PM, Lewis Lab 316

Computational Capabilities and Concepts for 21st Century Materials and Applications

Chinedu Ekuma

Theoretical Chemistry Division
Naval Research Laboratory

There is a long history of theoretical research into electron localization. The majority of this work focuses on either disorder-induced localization or localization due to electron interactions. These limiting cases were predicted by P. Anderson and N. F. Mott and are nowadays known as Anderson and Mott localization, respectively.  We also know that both disorder and electron interactions coexists in physical systems and can be substantial in real materials. Alongside experiment and theory, computation has become an essential part of the development of an understanding of many properties of pristine systems.  Despite the need, first-principles approach that “properly” characterizes electron localization have been elusive because both disorder and electron interactions break two of the fundamental assumptions in band theory, material homogeneity, and independent particles. In this talk, I will present a new computational approach overcoming these roadblocks by combining first-principles density functional theory, the Anderson-Hubbard model, and the typical medium dynamical cluster approximation within the dynamical mean-field theory. The computer simulations enabled by this method are expected to reveal new critical insight, e.g., simulations of monolayer hexagonal boron nitride predict that both disorder and electron interactions are essential for the material to undergo an insulator-to-metal transition.
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Physics and Astronomy Colloquia are usually scheduled for Thursdays at 4:10 PM in Lewis Lab room 316. Refreshments and snacks are available in the nearby coffee room at 3:45 PM.


Physics Colloquium Schedule for SPRING 2018

Click on Title below for past or upcoming Announcements (where available), and Speaker name for website.        

January 25Chinedu EkumaNaval Research Lab.Computational Capabilities and Concepts for 21st Century Materials and Applications
February 1Brandon AndersonUniv. of Chicago-
February 8Ryan MishmashCalif. Instit. of Technology-
February 15Arghavan Safavi-NainiJILA, NIST, UC Boulder-
February 22Bitan RoyMax Planck Instit. Dresden-
February 27Jordan HorowitzMIT-
March 8Gary BernsteinU. Penn-
March 15NO COLLOQUIUMSpring Break-
March 22Eleni KatiforiU. Penn
March 29Steven SquyresCornell Univ.-
April 5Andrew StromingerHarvard-
April 12Gino SegreU. Penn-
April 19Waseem BakrPrinceton-
April 26---
May 3Robert AustinPrinceton-
May 10---