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The procedure for simulating the nuclear magnetic resonance spectrum linked to the spin system of a molecule for a certain nucleus entails diagonalizing the associated Hamiltonian matrix. As the dimensions of said matrix grow exponentially…
Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates…
Magic is a non-classical resource whose efficient manipulation is fundamental to advancing efficient and scalable fault-tolerant quantum computing. Quantum advantage is possible only if both magic and entanglement are present. Of particular…
We address the nonlinear properties of the double-Morse potential as a resource for single-mode quantum states due to its double-well structure and anharmonicity. We obtain analytical expressions for the ground-state wavefunction and the…
Quantum state tomography is an essential tool for the characterization and verification of quantum states. However, as it cannot be directly applied to systems with more than a few qubits, efficient tomography of larger states on mid-sized…
We propose a quantum algorithm for inferring the molecular nuclear spin Hamiltonian from time-resolved measurements of spin-spin correlators, which can be obtained via nuclear magnetic resonance (NMR). We focus on learning the anisotropic…
A major thrust in quantum algorithm development over the past decade has been the search for the quantum algorithms that will deliver practical quantum advantage first. Today's quantum computers - and even early fault-tolerant quantum…
Despite their simplicity, quantum harmonic oscillators are ubiquitous in the modeling of physical systems. They are able to capture universal properties that serve as reference for the more complex systems found in nature. In this spirit,…
Quantum computation can be achieved by preparing an appropriate initial product state of qudits and then letting it evolve under a fixed Hamiltonian. The readout is made by measurement on individual qudits at some later time. This approach…
Quantum bits, or qubits, are the fundamental building blocks of present quantum computers. Hence, it is important to be able to characterize the state of a qubit as accurately as possible. By evaluating the qubit characterization problem…
The previously proposed Heisenberg-type relation $ E_c t_c >> \hbar {\cal C}$ for the energy used by a quantum computer, the total computation time and the logical ("classical") complexity of the problem is verified for the following…
We propose a novel physical realization of a quantum computer. The qubits are electric dipole moments of ultracold diatomic molecules, oriented along or against an external electric field. Individual molecules are held in a 1-D trap array,…
Feynmans ideas to employ quantum systems for simulating other quantum systems gave rise to quantum simulation. While current quantum computers are still prone to decoherence and rely on error correction, the development of hybrid algorithms…
Recent advances in quantum computing devices have brought attention to hybrid quantum-classical algorithms like the Variational Quantum Eigensolver (VQE) as a potential route to practical quantum advantage in chemistry. However, it is not…
Near-term quantum computers are expected to facilitate material and chemical research through accurate molecular simulations. Several developments have already shown that accurate ground-state energies for small molecules can be evaluated…
The current proposals for the realization of quantum computer such as NMR, quantum dots and trapped ions are based on the using of an atom or an ion as one qubit. In these proposals a quantum computer consists from several atoms and the…
The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…
Many symmetry protected or symmetry enriched phases of quantum matter have the property that every ground state in a given such phase endows measurement based quantum computation with the same computational power. Such phases are called…
The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a…