VanQver: The Variational and Adiabatically Navigated Quantum Eigensolver

By Shunji Matsuura, Takeshi Yamazaki, Valentin Senicourt, & Arman Zaribafiyan
The accelerated progress in manufacturing noisy intermediate-scale quantum (NISQ) computing hardware has opened the possibility of exploring its application in transforming approaches to solving computationally challenging problems. The important limitations common among all NISQ computing technologies are the absence of error correction and the short coherence time, which limit the computational power of these systems. Shortening the required time of a single run of a quantum algorithm is essential for reducing environment-induced errors and for the efficiency of the computation. We have investigated the ability of a variational version of adiabatic quantum computation (AQC) to generate an accurate state more efficiently compared to existing adiabatic methods. The standard AQC method uses a time-dependent Hamiltonian, connecting the initial Hamiltonian with the final Hamiltonian. In the current approach, a navigator Hamiltonian is introduced which has a finite amplitude only in the middle of the annealing process. Both the initial and navigator Hamiltonians are determined using variational methods. The cluster operator of coupled-cluster theory, truncated to single and double excitations, is used as a navigator Hamiltonian. A comparative study of our variational algorithm (VanQver) with that of standard AQC, starting with a Hartree–Fock Hamiltonian, is presented. The results indicate that the introduction of the navigator Hamiltonian significantly improves the annealing time required to achieve chemical accuracy by two to three orders of magnitude. The efficiency of the method is demonstrated in the ground-state energy estimation of molecular systems, namely, H2, P4, and LiH.

Most Recent Papers

Neural Error Mitigation of Near-Term Quantum Simulations

By Elizabeth R. Bennewitz, Florian Hopfmueller, Bohdan Kulchytskyy, Juan Carrasquilla, & Pooya Ronagh

One of the promising applications of early quantum computers is the simulation of quantum systems. Variational methods for near-term quantum computers, such as the variational quantum eigensolver (VQE), are a promising approach to finding ground states of quantum systems relevant in physics, chemistry, and materials science…

Benchmark Study of Quantum Algorithms for Combinatorial Optimization: Unitary versus Dissipative

By Krishanu Sankar, Artur Scherer, Satoshi Kako, Sam Reifenstein, Navid Ghadermarzy, Willem B. Krayenhoff, Yoshitaka Inui, Edwin Ng, Tatsuhiro Onodera, Pooya Ronagh, & Yoshihisa Yamamoto

We study the performance scaling of three quantum algorithms for combinatorial optimization: measurement-feedback coherent Ising machines (MFB-CIM), discrete adiabatic quantum computation (DAQC), and the Dürr-Hoyer algorithm for quantum minimum finding (DH-QMF) that is based on Grover’s search. We use MaxCut problems as our reference for comparison, and time-to-solution (TTS) as a practical measure of performance for these optimization algorithms…

Scaling Up Electronic Structure Calculations on Quantum Computers: The Frozen Natural Orbital Based Method of Increments

By Prakash Verma, Lee Huntington, Marc Coons, Yukio Kawashima, Takeshi Yamazaki, & Arman Zaribafiyan

The method of increments and frozen natural orbital (MI-FNO) framework is introduced to help expedite the application of noisy, intermediate-scale quantum (NISQ) devices for quantum chemistry simulations. The MI-FNO framework provides a systematic reduction of the occupied and virtual orbital spaces for quantum chemistry simulations. The correlation energies of the resulting increments from the MI-FNO reduction can then be solved by various algorithms, including quantum algorithms such as the phase estimation algorithm and the variational quantum eigensolver (VQE)…

Variationally Scheduled Quantum Simulation

By Shunji Matsuura, Samantha Buck, Valentin Senicourt, & Arman Zaribafiyan

Eigenstate preparation is ubiquitous in quantum computing, and a standard approach for generating the lowest-energy states of a given system is by employing adiabatic state preparation (ASP). In the present work, we investigate a variational method for determining the optimal scheduling procedure within the context of ASP. In the absence of quantum error correction, running a quantum device for any meaningful amount of time causes a system to become susceptible to the loss of relevant information…

Efficient and Accurate Electronic Structure Simulation Demonstrated on a Trapped-Ion Quantum Computer

By Yukio Kawashima, Marc P. Coons, Yunseong Nam, Erika Lloyd, Shunji Matsuura, Alejandro J. Garza, Sonika Johri, Lee Huntington, Valentin Senicourt, Andrii O. Maksymov, Jason H. V. Nguyen, Jungsang Kim, Nima Alidoust, Arman Zaribafiyan, & Takeshi Yamazaki

Quantum computers have the potential to perform accurate and efficient electronic structure calculations, enabling the simulation of properties of materials. However, today’s noisy, intermediate-scale quantum (NISQ) devices have a limited number of qubits and gate operations due to the presence of errors. Here, we propose a systematically improvable end-to-end pipeline to alleviate these limitations…