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Designing multi-qubit quantum logic gates with experimental constraints is an important problem in quantum computing. Here, we develop a new quantum optimal control algorithm for finding unitary transformations with constraints on the…

We introduce a method to solve the MaxCut problem efficiently based on quantum imaginary time evolution (QITE). We employ a linear Ansatz for unitary updates and an initial state involving no entanglement, as well as an…

We present a hardware-efficient optimization scheme for quantum chemistry calculations, utilizing the Sampled Quantum Diagonalization (SQD) method. Our algorithm, optimized SQD (SQDOpt), combines the classical Davidson method technique with…

As the field of quantum computing grows, novel algorithms which take advantage of quantum phenomena need to be developed. As we are currently in the NISQ (noisy intermediate scale quantum) era, quantum algorithm researchers cannot reliably…

The advent of Quantum Computing has influenced researchers around the world to solve multitudes of computational problems with the promising technology. Feasibility of solutions for computational problems, and representation of various…

Quantum chemistry calculations for small molecules on quantum hardware have been demonstrated to date only on universal-gate quantum computers, not quantum annealers. The latter devices are limited to finding the lowest eigenstate of the…

Topology and symmetry play critical roles in characterizing quantum phases of matter. Recent advancements have unveiled symmetry-protected topological (SPT) phases in many-body systems as a unique class of short-range entangled states,…

Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials…

Many current and near-future applications of quantum computing utilise parametric families of quantum circuits and variational methods to find optimal values for these parameters. Solving a quantum computational problem with such…

We propose a novel adiabatic time evolution (ATE) method for obtaining the ground state of a quantum many-electron system on a quantum circuit based on first quantization. As a striking feature of the ATE method, it consists of only unitary…

Quantum computers are expected to be highly beneficial for chemistry simulations, promising significant improvements in accuracy and speed. The most prominent algorithm for chemistry simulations on NISQ devices is the Variational Quantum…

The quantum imaginary time evolution (QITE) algorithm is a direct implementation of the classical imaginary time evolution algorithm on quantum computer. We implement the QITE algorithm for the case of nuclear Hartree-Fock equations in a…

The computation of electronic structure properties at the quantum level is a crucial aspect of modern physics research. However, conventional methods can be computationally demanding for larger, more complex systems. To address this issue,…

We propose a scheme to restore spatial symmetry of Hamiltonian in the variational-quantum-eigensolver (VQE) algorithm for which the quantum circuit structures used usually break the Hamiltonian symmetry. The symmetry-adapted VQE scheme…

We propose an efficient and almost optimal scheme for measuring molecular Hamiltonians in quantum chemistry on quantum computers, which requires $2N^2$ distinct measurements in the leading order with $N$ being the number of molecular…

Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…

We present a new hybrid quantum-classical algorithm for optimizing unitary coupled-cluster (UCC) wave functions deemed the projective quantum eigensolver (PQE), amenable to near-term noisy quantum hardware. Contrary to variational quantum…

We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…

The recently developed Projective Quantum Eigensolver (PQE) has been demonstrated as an elegant methodology to compute the ground state energy of molecular systems in Noisy Intermdiate Scale Quantum (NISQ) devices. The iterative…

Variational quantum eigensolver ans\"atze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis…