[HTML][HTML] The variational quantum eigensolver: a review of methods and best practices

J Tilly, H Chen, S Cao, D Picozzi, K Setia, Y Li, E Grant… - Physics Reports, 2022‏ - Elsevier
The variational quantum eigensolver (or VQE), first developed by Peruzzo et al.(2014), has
received significant attention from the research community in recent years. It uses the …

Quantum algorithms for quantum dynamics

A Miessen, PJ Ollitrault, F Tacchino… - Nature Computational …, 2023‏ - nature.com
Among the many computational challenges faced across different disciplines, quantum-
mechanical systems pose some of the hardest ones and offer a natural playground for the …

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

Y Alexeev, M Amsler, MA Barroca, S Bassini… - Future Generation …, 2024‏ - Elsevier
Computational models are an essential tool for the design, characterization, and discovery
of novel materials. Computationally hard tasks in materials science stretch the limits of …

Emerging quantum computing algorithms for quantum chemistry

M Motta, JE Rice - Wiley Interdisciplinary Reviews …, 2022‏ - Wiley Online Library
Digital quantum computers provide a computational framework for solving the Schrödinger
equation for a variety of many‐particle systems. Quantum computing algorithms for the …

Quantum embedding method for the simulation of strongly correlated systems on quantum computers

M Rossmannek, F Pavosevic, A Rubio… - The Journal of …, 2023‏ - ACS Publications
Quantum computing has emerged as a promising platform for simulating strongly correlated
systems in chemistry, for which the standard quantum chemistry methods are either …

Quantum computing for molecular biology

A Baiardi, M Christandl, M Reiher - ChemBioChem, 2023‏ - Wiley Online Library
Molecular biology and biochemistry interpret microscopic processes in the living world in
terms of molecular structures and their interactions, which are quantum mechanical by their …

Toward real chemical accuracy on current quantum hardware through the transcorrelated method

W Dobrautz, IO Sokolov, K Liao, PL Ríos… - Journal of Chemical …, 2024‏ - ACS Publications
Quantum computing is emerging as a new computational paradigm with the potential to
transform several research fields including quantum chemistry. However, current hardware …

Assessing the benefits and risks of quantum computers

TL Scholten, CJ Williams, D Moody, M Mosca… - arxiv preprint arxiv …, 2024‏ - arxiv.org
Quantum computing is an emerging technology with potentially far-reaching implications for
national prosperity and security. Understanding the timeframes over which economic …

Toward practical quantum embedding simulation of realistic chemical systems on near-term quantum computers

W Li, Z Huang, C Cao, Y Huang, Z Shuai, X Sun… - Chemical …, 2022‏ - pubs.rsc.org
Quantum computing has recently exhibited great potential in predicting chemical properties
for various applications in drug discovery, material design, and catalyst optimization …

Pulse variational quantum eigensolver on cross-resonance-based hardware

DJ Egger, C Capecci, B Pokharel, PK Barkoutsos… - Physical Review …, 2023‏ - APS
State-of-the-art noisy digital quantum computers can only execute short-depth quantum
circuits. Variational algorithms are a promising route to unlock the potential of noisy quantum …