Hardware efficient quantum algorithms for vibrational structure calculations

Abstract

<p>We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational anharmonic Hamiltonians.</p>

Controlled coherent dynamics of [VO(TPP)], a prototype molecular nuclear qudit with an electronic ancilla

“…For instance, the extra levels of the qudit can be used to encode qubits with embedded quantum-error correction, a fundamental step to make the quantum hardware resistant to environmental noise [29][30][31][32][33][34] and still far from being realized even by the most advanced technologies. [35][36][37][38][39][40] Other examples are provided by the Toffoli gate, 41 the Deutsch, 42 Grover, 43 Quantum Fourier Transform, or Quantum Phase Estimation algorithms, which can be implemented much faster and using fewer operations on a qudit than on multiple qubits. 25 Moreover, quantum simulation schemes have recently been put forward, exploiting the qudit multi-level structure to represent bosonic elds.…”

A quantum computing view on unitary coupled cluster theory

“…To achieve this, one needs to determine the set of parameters θ such that the computational goal is fulfilled as good as possible. Similar strategies can be thought of for other interesting properties such as excited 69,116 or vibrational 160 states.…”

Encoding strongly-correlated many-boson wavefunctions on a photonic quantum computer: application to the attractive Bose-Hubbard model

“…As a results, a lot of attention has been directed to many-fermion systems (see for example [12,[17][18][19]72,107,108]), but little work has been done on quantum ansatze to encode many-boson wavefunctions (for a notable exception, see the implementation of the unitary vibrational-coupled-cluster ansatz introduced in Ref. [15]).…”

“…Variational quantum algorithms (VQA) have shown to be very efficient and promising for encoding complex wavefunctions of various kinds of systems. Applications of these algorithms range from molecular systems in quantum chemistry [1][2][3][4][5][6][7][8][9][10][11], interacting-spins and electrons models from condensed matter [12][13][14] or vibrational Hamiltonians [15], to cite but a few.…”