Emergent phenomena, from high-temperature superconductivity in cuprates to orbital-ordering in manganites, are the hallmark of strong correlations.
Since strong correlations imply that electrons loose their individuality, the accurate description of many-body effects is one of the grand challenges of modern condensed-matter physics.
E. Pavarini, E. Koch, A.I. Lichtenstein, Phys. Rev. Lett. 101, 266405 (2008)
The state of the art approach is combination of the dynamical mean-field theory with ab-initio methods (LDA+DMFT).
In this project we take crucial steps to accurately and effectively simulate the full Coulomb vertex in LDA+DMFT.
Final status
The weak-coupling CT-QMC code is completed. The first application is finished and the work has been submitted to Physical Review Letters.
Other works are in preparation.
E. Pavarini and E. Koch, arxiv:0904.4603. Submitted to Phys. Rev. Lett.
The seed funds were crucial to support E. Gorelov, the postdoc who was in charge of writing the weak-coupling CT-QMC code.
Prizes:
Dr. Evgeny Gorelov received a prize for the best project in "High-Performance Computing for Nanotechnology and Nanoindustry" together with an international team in a competition organised by the Russian Corporation of Nanotechnologies (RUSNANO) and the Intel Corporation for a project in the category of "Supercomputers for Nanotechnololgy and the Nanoindustry". more
Kontakt:
Prof. Eva Pavarini, Institute for solid state research, Forschungszentrum Jülich
