Materials Research Laboratory

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ICMT Seminar: Computing electron correlation effects: an auxiliary-field perspective

Event Type
Seminar/Symposium
Sponsor
Department of Physics
Location
190 ESB
Date
Feb 18, 2013   12:00 pm  
Speaker
Shiwei Zhang  (William & Mary)
Originating Calendar
Physics - Institute for Condensed Matter Theory Seminar

Understanding and predicting the properties of quantum matter remains one of the great challenges in physics.  I will describe some recent progress in formulating a computational framework for correlated electron systems.  This is a non-perturbative, field-theoretic approach, which can be used to simulate either a fully materials-specific Hamiltonian or a Hubbard-like model --- or indeed any electronic Hamiltonian in between as the former is ``down-folded'' to the latter.  As an illustration of materials-specific applications, calculations of the bandgap in ZnO and the binding of Cobalt adatoms on graphene will be discussed. Results will then be presented on simulations to determine the nature of antiferromagnetic correlations in the ground state of the repulsive two-dimensional Hubbard model when doped. This computational framework takes the form of many loosely coupled mean-field calculations. It thus has an ideal algorithmic structure and exceptional scalability for parallel computing.  With petascale supercomputers, a variety of problems in correlated electron matter can now be tackled.

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