Computational Quantum Condensed Matter

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The objective of this proposal is to apply state of the art numerical techniques to simulate new materials, in particular materials where so called strong correlation effects or frustration are important. Many materials display frustration and strong correlation effects giving rise to novel phases and properties that is currently the focus of intense study. In essence, what we mean by this is that the system as a whole possess properties that the individual parts do not have. When we model such materials it becomes apparent that analytical calculations are difficult and often unreliable and the only viable alternative is to perform large scale simulations using computers. Here it is proposed to apply this approach to problems where such strong correlations and frustration are important, such as quantum spin chains, frustrated magnets, supercondcutivity and other strongly correlated or disordered systems. In particular it is proposed to investigate spin liquid and other exotic phases as they occur in these systems as well as the transition into these novel phases. An aspect of special importance is the entanglement, a measure of the inherent quantum mechanical nature of these materials at low temperatures. A secondary objective is to develop new advanced numerical algorithms for the study of these materials. A detailed understanding of entanglement has proven crucial for this objective. The availability of numerical results would be of considerable importance for the development of new materials vital to our scientific competitiveness and the development of new numerical techniques might improve our understanding or directly solve grand-challenge computational problems, such as the sign problem, and could lead to new parallel programming paradigms.