Related papers: Parallel Quantum Chemistry on Noisy Intermediate-S…
Given a partition of a large system into an active quantum mechanical (QM) region and its environment, we present a simple way of embedding the QM region into an effective electrostatic potential representing the environment. This potential…
The architecture of circuital quantum computers requires computing layers devoted to compiling high-level quantum algorithms into lower-level circuits of quantum gates. The general problem of quantum compiling is to approximate any unitary…
Quantum field theory (QFT) simulations are a potentially important application for noisy intermediate scale quantum (NISQ) computers. The ability of a quantum computer to emulate a QFT, therefore, constitutes a natural application-centric…
The density matrix is a positive semidefinite operator of trace 1 characterizing the state of a quantum system. We consider the inverse problem to reconstruct such density matrices from indirect measurements, also known as quantum state…
This study introduces a hybrid quantum-classical dispatching framework designed for power systems with high renewable penetration. The proposed method integrates a variational quantum algorithm with classical optimization to provide…
We present an efficient protocol leveraging classical computation to support Initial State Preparation for strongly correlated fermionic systems, a critical bottleneck for fault-tolerant quantum simulation. Focusing on nuclear shell model…
A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum many-body systems. Within this framework, explicit expressions…
We propose a hybrid quantum-classical algorithm for approximating the ground state of two-dimensional quantum systems using an isometric tensor network ansatz, which maps naturally to quantum circuits. Inspired by the density matrix…
Quantum computing holds immense potential for solving classically intractable problems by leveraging the unique properties of quantum mechanics. The scalability of quantum architectures remains a significant challenge. Multi-core quantum…
We formulate a quantum embedding algorithm in real-space for the simultaneous theoretical treatment of nonlocal electronic correlations and disorder, the coherent cellular dynamical mean-field theory (C-CDMFT). This algorithm combines the…
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…
One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their steep scaling with system size prohibits their application…
Quantum algorithms to integrate nonlinear PDEs governing flow problems are challenging to discover but critical to enhancing the practical usefulness of quantum computing. We present here a near-optimal, robust, and end-to-end quantum…
Quasi-degenerate eigenvalue problems are central to quantum chemistry and condensed-matter physics, where low-energy spectra often form manifolds of nearly degenerate states that determine physical properties. Standard quantum algorithms,…
In recent years, the Variational Quantum Eigensolver (VQE) has emerged as one of the most popular algorithms for solving the electronic structure problem on near-term quantum computers. The utility of VQE is often hindered by the…
Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…
Parallel computation enables multiple processors to execute different parts of a task simultaneously, improving processing speed and efficiency. In quantum computing, parallel gate implementation involves executing gates independently in…
In this paper, we present a parallel numerical algorithm for solving the phase field crystal equation. In the algorithm, a semi-implicit finite difference scheme is derived based on the discrete variational derivative method. Theoretical…
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 fabrication, utilisation, and efficiency of quantum technologies rely on a good understanding of quantum thermodynamic properties. Many-body systems are often used as hardware for these quantum devices, but interactions between…