Related papers: QB Ground State Energy Estimation Benchmark
We present the first demonstration of an end-to-end pipeline with quantum error correction (QEC) for a quantum computation of the electronic structure of molecular systems. We calculate the ground-state energy of molecular hydrogen, using…
Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…
The electronic structure problem is one of the main problems in modern theoretical chemistry. While there are many already-established methods both for the problem itself and its applications like semi-classical or quantum dynamics, it…
While ground-state preparation is expected to be a primary application of quantum computers, it is also an essential subroutine for many fault-tolerant algorithms. In early fault-tolerant regimes, logical measurements remain costly,…
In this paper, we propose a new numerical method to compute the ground state solution of trapped interacting Bose-Einstein condensation (BEC) at zero or very low temperature by directly minimizing the energy functional via finite element…
The combination of the many-body Green's function $GW$ approximation and the Bethe-Salpeter equation (BSE) formalism has shown to be a promising alternative to time-dependent density-functional theory (TD-DFT) for computing vertical…
We investigate the feasibility of early fault-tolerant quantum algorithms focusing on ground-state energy estimation problems. In particular, we examine the computation of the cumulative distribution function (CDF) of the spectral measure…
In this review, we give an overview of the proposed applications in the early-FTQC (EFTQC) era. Starting from the error correction architecture for EFTQC device, we first review the recently developed space-time efficient analogue rotation…
Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…
Quantum computers can be used to calculate the electronic structure and estimate the ground state energy of many-electron molecular systems. In the present study, we implement the Variational Quantum Eigensolver (VQE) algorithm, as a hybrid…
In the lead up to fault tolerance, the utility of quantum computing will be determined by how adequately the effects of noise can be circumvented in quantum algorithms. Hybrid quantum-classical algorithms such as the variational quantum…
When deriving a master equation for a multipartite weakly-interacting open quantum systems, dissipation is often addressed \textit{locally} on each component, i.e. ignoring the coherent couplings, which are later added `by hand'. Although…
We present a comparative benchmark of Quantum Tensor Networks (QTN), the Hydrodynamic Schr\"odinger Equation (HSE), and Physics-Informed Neural Networks (PINN) for simulating the 1D Burgers' equation. Evaluating these emerging paradigms…
Generalized master equations (GMEs) -- time-local but generally neither trace-preserving nor Hermiticity-preserving -- are convenient tools to compute properties of the environment of an open or continuously monitored quantum system. A…
Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we…
Generating large, non-trivial quantum chemistry test problems with known ground-state solutions remains a core challenge for benchmarking electronic structure methods. Inspired by planted-solution techniques from combinatorial optimization,…
We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…
Variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for noisy intermediate-scale quantum (NISQ) computers. It is promising for quantum chemical calculations (QCC) because it can calculate the ground-state…
Many hybrid quantum-classical algorithms for the application of ground state energy estimation in quantum chemistry involve estimating the expectation value of a molecular Hamiltonian with respect to a quantum state through measurements on…
Estimating ground state energies of many-body Hamiltonians is a central task in many areas of quantum physics. In this work, we give quantum algorithms which, given any $k$-body Hamiltonian $H$, compute an estimate for the ground state…