Theoretical Chemistry

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Quantum correlations are at the heart of many interesting features of modern functional molecules and materials. However, it remains one of the most challenging problems in theoretical chemistry to accurately describe these correlations, due to the fundamental laws of quantum mechanics. The aim of this research program is to develop new theoretical methods that capture these quantum correlations at a modest computational cost. Recent ideas and developments from mathematical physics, theoretical chemistry and machine learning combined hold the potential to offer new insights in the quantum many-body problem, and therefore accelerate the development of these theoretical methods.