Methods and apparatuses for resource-optimized fermionic local simulation on quantum computer for quantum chemistry
AssigneesIonQ, Inc., University of Maryland, College Park
InventorsQingfeng Wang, Ming Li, Yunseong Nam
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Abstract
Aspects of the present disclosure describe a method including predicting a first set of ansatz terms and a first plurality of amplitudes associated with the first set of ansatz terms; minimizing energy of the system based on the first set of ansatz terms and the first plurality of amplitudes; computing perturbative corrections using one or more ansatz wavefunctions; determining whether energy of the system converges; and predicting, in response to determining that the energy of the system does not converge, a second set of ansatz terms and a second plurality of amplitudes associated with the second set of ansatz terms.
Claims20
A method of performing simulation of a system, comprising:
- predicting a first set of ansatz terms and first initial amplitudes associated with the first set of ansatz terms;
- minimizing energy of the system based on the first set of ansatz terms and the first initial amplitudes;
- calculating at least one of perturbative corrections in the energy or wavefunction based on one or more ansatz wavefunctions;
- determining whether energy of the system converges;
- and
- predicting, in response to determining that the energy of the system does not converge, a second set of ansatz terms and second initial amplitudes associated with the second set of ansatz terms.
A non-transitory computer readable medium having instructions stored therein that, when executed by a processor, cause the processor to:
- predict a first set of ansatz terms and first initial amplitudes associated with the first set of ansatz terms;
- minimize energy of the system based on the first set of ansatz terms and the first initial amplitudes;
- calculate at least one of perturbative corrections in the energy or wavefunction based on one or more ansatz wavefunctions;
- determine whether energy of the system converges;
- and
- predict, in response to determining that the energy of the system does not converge, a second set of ansatz terms and second initial amplitudes associated with the second set of ansatz terms.
Dependencies are inferred from the claim text.