Related papers: Adaptive Basis Sets for Practical Quantum Computin…
Relativistic quintuple-zeta basis sets for the p elements are presented. The basis sets for the occupied spinors were optimized at the Dirac-Coulomb self-consistent field (SCF) level on the ground configurations. Valence and core…
Accurate prediction of protein active-site structures remains a central challenge in structural biology, particularly for short and flexible peptide fragments where conventional and simulation-based methods often fail. Here, we present a…
We describe a family of recursive methods for the synthesis of qubit permutations on quantum computers with limited qubit connectivity. Two objectives are of importance: circuit size and depth. In each case we combine a scalable heuristic…
Quantum noise in real-world devices poses a significant challenge in achieving practical quantum advantage, since accurately compiled and executed circuits are typically deep and highly susceptible to decoherence. To facilitate the…
Quantum error correcting codes have been developed to protect a quantum computer from decoherence due to a noisy environment. In this paper, we present two methods for optimizing the physical implementation of such error correction schemes.…
Quantum receivers aim to effectively navigate the vast quantum-state space to endow quantum information processing capabilities unmatched by classical receivers. To date, only a handful of quantum receivers have been constructed to tackle…
Error rates in current noisy quantum hardware are not static; they vary over time and across qubits. This temporal and spatial variation challenges the effectiveness of fixed-distance quantum error correction (QEC) codes. In this paper, we…
We combine the finite size scaling method with the meshfree spectral method to calculate quantum critical parameters for a given Hamiltonian. The basic idea is to expand the exact wave function in a finite exponential basis set and…
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…
This work provides a self-consistent extension of the recently proposed density-based basis-set correction method for wave-function electronic-structure calculations [J. Chem. Phys. 149, 194301 (2018)]. In contrast to the previously used…
Quantum variational algorithms (QVAs) are increasingly potent tools for simulating quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. This work examines the application of the Variational Quantum Eigensolver (VQE)…
Quantum computing has the potential to revolutionize quantum chemistry and material science by offering solutions to complex problems unattainable with classical computers. However, the development of efficient quantum algorithms that are…
There are several important solid-state systems, such as defects in solids, superconducting circuits and molecular qubits, for attractive candidates of quantum computations. Molecular qubits, which benefit from the power of chemistry for…
The accurate estimation of quantum observables is a critical task in science. With progress on the hardware, measuring a quantum system will become increasingly demanding, particularly for variational protocols that require extensive…
Quantum data loading plays a central role in quantum algorithms and quantum information processing. Many quantum algorithms hinge on the ability to prepare arbitrary superposition states as a subroutine, with claims of exponential speedups…
In this work, we report on a novel quantum gate approximation algorithm based on the application of parametric two-qubit gates in the synthesis process. The utilization of these parametric two-qubit gates in the circuit design allows us to…
Adaptive tomography has been widely investigated to achieve faster state tomography processing of quantum systems. Infidelity of the nearly pure states in a quantum information process generally scales as O(1/sqrt(N) ), which requires a…
Quantum computers are expected to provide a ultimate solver for quantum many-body systems, although it is a tremendous challenge to achieve that goal on current noisy quantum devices. This work illustrated quantum simulations of ab initio…
Hardware-efficient empirical variational ans\"atze for Variational Quantum Eigensolver simulations of Quantum Chemistry suffer from the lack of a direct connection to classical Quantum Chemistry methods. In the present work, we propose a…
Estimation of physical observables for unknown quantum states is an important problem that underlies a wide range of fields, including quantum information processing, quantum physics, and quantum chemistry. In the context of quantum…