Related papers: Quantum algorithm for Ewald summation based comput…
Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state energies is challenging for classical algorithms due to…
A robust, fast and accurate method for solving the Colebrook-like equations is presented. The algorithm is efficient for the whole range of parameters involved in the Colebrook equation. The computations are not more demanding than…
The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics. It is for this reason that a universal quantum computer has the potential to fundamentally change…
This work presents the implementation of a fragment-based, quantum-centric supercomputing workflow for computing molecular electronic structure using quantum hardware. The workflow is applied to predict the relative energies of two…
The conventional Quantum Fourier Transform, with exponential speedup compared to the classical Fast Fourier Transform, has played an important role in quantum computation as a vital part of many quantum algorithms (most prominently, the…
The Quantum Fourier Transformation (QFT) is a well-known subroutine for algorithms on qubit-based universal quantum computers. In this work, the known QFT circuit is used to derive an efficient circuit for the multidimensional QFT. The…
We develop a fast method for computing the electrostatic energy and forces for a collection of charges in doubly-periodic slabs with jumps in the dielectric permittivity at the slab boundaries. Our method achieves spectral accuracy by using…
The eigenvalue density of a matrix plays an important role in various types of scientific computing such as electronic-structure calculations. In this paper, we propose a quantum algorithm for computing the eigenvalue density in a given…
In this work, we consider a fundamental task in quantum many-body physics - finding and learning ground states of quantum Hamiltonians and their properties. Recent works have studied the task of predicting the ground state expectation value…
We present an experimentally feasible scheme to implement holonomic quantum computation in the ultrastrong-coupling regime of light-matter interaction. The large anharmonicity and the Z2 symmetry of the quantum Rabi model allow us to build…
Simulation of realistic classical mechanical systems is of great importance to many areas of engineering such as robotics, dynamics of rotating machinery and control theory. In this work, we develop quantum algorithms to estimate quantities…
Classical density functional theory (DFT) of fluids is a valuable tool to analyze inhomogeneous fluids. However, few numerical solution algorithms for three-dimensional systems exist. Here we present an efficient numerical scheme for fluids…
Nuclear quantum phenomena beyond the Born-Oppenheimer approximation are known to play an important role in a growing number of chemical and biological processes. While there exists no unique consensus on a rigorous and efficient…
In recent years, quantum computing has drawn significant interest within the field of high-energy physics. We explore the potential of quantum algorithms to resolve the combinatorial problems in particle physics experiments. As a concrete…
The performance of quantum algorithms for ground-state energy estimation is directly impacted by the quality of the initial state, where quality is traditionally defined in terms of the overlap of the input state with the target state. An…
Systems of linear equations are used to model a wide array of problems in all fields of science and engineering. Recently, it has been shown that quantum computers could solve linear systems exponentially faster than classical computers,…
Using electrostatic gates to control the electron positions, we present a new controlled-NOT gate based on quantum dots. The qubit states are chosen to be the spin states of an excess conductor electron in the quantum dot; and the main…
We present a fast and spectrally accurate method for efficient computation of the three dimensional Coulomb potential with periodicity in one direction. The algorithm is FFT-based and uses the so-called Ewald decomposition, which is…
In this paper we take up the quantal two-centre problem where the Coulomb centres have arbitrary positive charges. In analogy with the symmetric case, treated in the second paper of this series of papers, we use the knowledge on the…
Quantum walks (QWs) are of interest as examples of uniquely quantum behavior and are applicable in a variety of quantum search and simulation models. Implementing QWs on quantum devices is useful from both points of view. We describe a…