International Business Machines Corporation

Max Rossmannek

Ivano Tavernelli

Panagiotis Barkoutsos

Pauline Ollitrault

Techniques facilitating density-functional theory determinations using a quantum computing system are provided. A system can comprise a first computing processor and a second computing processor. The first computing processor can generate a density-functional theory determination. The second computing processor can input a quantum density into the density-functional theory determination. The first computing processor can be operatively coupled to the second computing processor. Further, the first computing processor can be a classical computer and the second computing processor can be a quantum computer.

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Zurich, Switzerland

Max Rossmannek