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We present high-precision quantum computing simulations of three-body atoms (He, H$^-$) and molecules (H$_2^+$, HD$^+$), the latter being studied beyond the Born-Oppenheimer approximation. The Non-Iterative Disentangled Unitary Coupled…
We present a variational quantum thermalizer (VQT), called quantum-VQT (qVQT), which extends the variational quantum eigensolver (VQE) to finite temperatures. The qVQT makes use of an intermediate measurement between two variational…
The prediction of electronic structure for strongly correlated molecules represents a promising application for near-term quantum computers. Significant attention has been paid to ground state wavefunctions, but excited states of molecules…
Implementing many important sub-circuits on near-term quantum devices remains a challenge due to the high levels of noise and the prohibitive depth on standard nearest-neighbour topologies. Overcoming these barriers will likely require…
Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…
A quantum computing algorithm is proposed to obtain low-lying excited states in many-body interacting systems. The approximate eigenstates are obtained by using a quantum space diagonalization method in a subspace of states selected from…
Variational quantum algorithms are among the most promising approaches for simulating interacting quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. However, the practical success of variational quantum…
Among variational quantum algorithms designed for NISQ devices, ADAPT-VQE stands out for its robustness against barren plateaus, particularly in estimating molecular ground states. On the other hand, counterdiabatic algorithms have shown…
While numerical simulations are presented in most papers introducing new methods to enhance the VQE performance, comprehensive, comparative, and applied studies remain relatively rare. We present a comprehensive, yet concise guide for the…
While quantum computing algorithms have been widely applied for electronic structure calculations, applications to molecular dynamics remain scarce. Complex and varied landscapes of molecular potential energy surfaces give rise to…
QuYBE is an open-source algebraic compiler for the compression of quantum circuits. It has been applied for the efficient simulation of the Heisenberg Hamiltonian on quantum computers. Currently, it can simulate the time dynamics of…
State-of-the-art noisy digital quantum computers can only execute short-depth quantum circuits. Variational algorithms are a promising route to unlock the potential of noisy quantum computers since the depth of the corresponding circuits…
Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications,…
We develop an extension of the variational quantum eigensolver (VQE) algorithm - multistate, contracted VQE (MC-VQE) - that allows for the efficient computation of the transition energies between the ground state and several low-lying…
We present a method to improve the convergence of variational algorithms based on hidden inverses to mitigate coherent errors. In the context of error mitigation, this means replacing the on hardware implementation of certain Hermitian…
We explore a pulse-based variational quantum eigensolver (VQE) algorithm for Rydberg atoms in optical tweezer arrays and evaluate its performance on prototypical quantum spin models. We numerically demonstrate that the ground states of the…
Resource-efficient, low-depth implementations of quantum circuits remain a promising strategy for achieving reliable and scalable computation on quantum hardware, as they reduce gate resources and limit the accumulation of noisy operations.…
Waveguide QED simulators are analogue quantum simulators made by quantum emitters interacting with one-dimensional photonic band-gap materials. One of their remarkable features is that they can be used to engineer tunable-range emitter…
Quantum-selected configuration interaction (QSCI) has emerged as a feasible approach for approximating electronic ground states on noisy quantum devices toward large-system demonstrations. In QSCI, Slater determinants are sampled from a…
Approximating the ground states of strongly interacting electron systems in quantum chemistry and condensed matter physics is expected to be one of the earliest applications of quantum computers. In this paper, we prepare highly accurate…