CORDIS Project
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This project aims to enhance quantum chemistry by developing scalable methods for studying large molecular systems and complex transition metal chemistry. It focuses on improving computational efficiency and accuracy using advanced techniques like local correlation methods and tensor network evaluations.
The objective of this proposal is to tackle two of the greatest challenges in quantum chemistry: (i) extending the applicability of highly accurate wave function methods to large molecular systems, and (ii) developing accurate and robust multi-reference methods that can be used for studying important but very difficult problems in transition metal chemistry, catalysis, and photochemistry.
Solutions to these problems have now come within reach due to three advances we recently reported: first, th…
UNIVERSITY OF STUTTGART
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