Density-functional theory determinations using a quantum computing system
AssigneeInternational Business Machines Corporation
InventorsIvano Tavernelli, Panagiotis Barkoutsos, Pauline Ollitrault, Max Rossmannek
Life of this patent
Estimating the term…
Abstract
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.
Claims25
A circuit, comprising:
- a first computing processor that generates a density-functional theory determination;
- and
- a second computing processor that inputs a quantum density into the density-functional theory determination generated by the first computing processor, wherein the first computing processor is operatively coupled to the second computing processor.
A computer-implemented method, comprising:
- generating, by a first computing processor of a system, a density-functional theory determination;
- and
- inputting, by a second computing processor of the system, a quantum density into the density-functional theory determination, wherein the first computing processor is operatively coupled to the second computing processor.
A system, comprising:
- a first computing processor that generates a density-functional theory determination;
- and
- a second computing processor that inputs a quantum density into the density-functional theory determination, wherein the first computing processor is operatively coupled to the second computing processor.
A computer-implemented method, comprising:
- employing, by a device operatively coupled to a processor, a first computing processor to implement a density-functional theory determination;
- employing, by the device, a second computing processor to update the density-functional theory determination, resulting in an updated density-functional theory determination;
- and
- employing, by the device, the first computing processor to reoptimize the updated density-functional theory determination based on iterative density-functional theory-based embedding for quantum computing determinations.
A device, comprising:
- a first computing processor that implements a density-functional theory determination and a second computing processor that updates the density-functional theory determination, resulting in an updated density-functional theory determination,
- wherein the first computing processor reoptimizes the updated density-functional theory determination based on iterative density-functional theory-based embedding for quantum computing determinations.
Dependencies are inferred from the claim text.