Related papers: Automated near-term quantum algorithm discovery fo…
This report offers a comprehensive analysis of the evolving landscape of quantum algorithm software specifically tailored for condensed matter physics. It examines fundamental quantum algorithms such as Variational Quantum Eigensolver…
Accurate ground-state calculations on noisy quantum computers are fundamentally limited by restricted ansatz expressivity and unavoidable hardware errors. We introduce a hybrid-quantum classical framework that simultaneously addresses these…
Background: Solving nuclear many-body problems with an ab initio approach is widely recognized as a computationally challenging problem. Quantum computers offer a promising path to address this challenge. There are urgent needs to develop…
The Quantum Approximate Optimization Algorithm (QAOA) constitutes one of the often mentioned candidates expected to yield a quantum boost in the era of near-term quantum computing. In practice, quantum optimization will have to compete with…
Recent technological developments have focused the interest of the quantum computing community on investigating how near-term devices could outperform classical computers for practical applications. A central question that remains open is…
As quantum computing approaches its first commercial implementations, quantum simulation emerges as a potentially ground-breaking technology for several domains, including Biology and Chemistry. However, taking advantage of quantum…
Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in…
This effort examines the intersection of the emerging field of quantum computing and the more established field of evolutionary computation. The goal is to understand what benefits quantum computing might offer to computational intelligence…
A novel hybrid quantum-classical approach has been developed to efficiently address the multireference quantum chemistry problem. The Handover Iterative Variational Quantum Eigensolver (HiVQE) is designed to accurately estimate ground-state…
The finite element method is used to approximately solve boundary value problems for differential equations. The method discretises the parameter space and finds an approximate solution by solving a large system of linear equations. Here we…
We propose quantum algorithms for projective ground-state preparation and calculations of the many-body Green's functions directly in frequency domain. The algorithms are based on the linear combination of unitary (LCU) operations and…
The drug design process currently requires considerable time and resources to develop each new compound that enters the market. This work develops an application of hybrid quantum generative models based on the integration of parametrized…
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…
Solving Hamiltonian matrix is a central task in quantum many-body physics and quantum chemistry. Here we propose a novel quantum algorithm named as a quantum Heaviside eigen solver to calculate both the eigen values and eigen states of the…
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…
One of the potential applications of a quantum computer is solving quantum chemical systems. It is known that one of the fastest ways to obtain somewhat accurate solutions classically is to use approximations of density functional theory.…
Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum…
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…
With the advent of quantum computers, many quantum computing algorithms are being developed. Solving linear systems is one of the most fundamental problems in almost all science and engineering. The Harrow-Hassidim-Lloyd algorithm, a…
Integrating quantum mechanics into drug discovery marks a decisive shift from empirical trial-and-error toward quantitative precision. However, the prohibitive cost of ab initio molecular dynamics has historically forced a compromise…