Dominic Alfonso, Yueh-Lin Lee, Hari P. Paudel, Yuhua Duan
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Chemical applications of variational quantum eigenvalue-based quantum algorithms: Perspective and survey
Exploring many-body chemical systems on classical computers often involves solving the Schrödinger equation. However, this approach is frequently limited by the exponential increase in the dimensionality of the Hamiltonian as the number of degrees of freedom increases. In contrast, quantum computing, specifically through the variational quantum eigensolver (VQE) framework, shows promise in overcoming this exponential cost. VQE can utilize the collective properties of quantum states to model the wavefunction in polynomial time. Despite the current limitations of quantum hardware, significant advances have been made in the development of VQE-based algorithms. In this review, we provide an overview of emerging protocols, focusing on their applications in simulating the ground state, excited state, and vibrational properties of chemical systems. By examining notable algorithmic advancements and applications, this review aims to shed light on the challenges and potential of VQE-based algorithms in addressing relevant chemical problems.
期刊介绍:
Applied Physics Reviews (APR) is a journal featuring articles on critical topics in experimental or theoretical research in applied physics and applications of physics to other scientific and engineering branches. The publication includes two main types of articles:
Original Research: These articles report on high-quality, novel research studies that are of significant interest to the applied physics community.
Reviews: Review articles in APR can either be authoritative and comprehensive assessments of established areas of applied physics or short, timely reviews of recent advances in established fields or emerging areas of applied physics.