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Next Generation Multi-Scale Quantum Simulation Software for Strongly Correlated Materials

by kentpr last modified 2009-05-13 14:54

Developing a massively parallel multi-scale method for the study of strongly correlated materials – such as magnets and superconductors.

Presently, many-body theory tends to be an all or nothing affair, since it either treats only short-ranged correlations numerically, or treats correlations at all length-scales approximately. The goal of this SciDAC project is to build a new Multi-Scale Many-Body formalism and suite of codes which treat each length scale with an appropriate approximation. Short length scales, where correlations are strong, will be treated explicitly using Quantum Monte Carlo. Intermediate length scales are treated diagrammatically, using information from the QMC simulation of the cluster. The longest length scales are treated with a Dynamical Mean Field. Software from this project is available from http://www.cs.ucdavis.edu/~bai/PETAMAT/.


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