Quantum algorithms for quantum chemistry and quantum materials science

B Bauer, S Bravyi, M Motta, GKL Chan - Chemical reviews, 2020 - ACS Publications
As we begin to reach the limits of classical computing, quantum computing has emerged as
a technology that has captured the imagination of the scientific world. While for many years …

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 computing

R Rietsche, C Dremel, S Bosch, L Steinacker… - Electronic Markets, 2022 - Springer
Quantum computing promises to be the next disruptive technology, with numerous possible
applications and implications for organizations and markets. Quantum computers exploit …

Fault-tolerant quantum simulations of chemistry in first quantization

Y Su, DW Berry, N Wiebe, N Rubin, R Babbush - PRX Quantum, 2021 - APS
Quantum simulations of chemistry in first quantization offer some important advantages over
approaches in second quantization including faster convergence to the continuum limit and …

Randomized quantum algorithm for statistical phase estimation

K Wan, M Berta, ET Campbell - Physical Review Letters, 2022 - APS
Phase estimation is a quantum algorithm for measuring the eigenvalues of a Hamiltonian.
We propose and rigorously analyze a randomized phase estimation algorithm with two …

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 …

Subspace methods for electronic structure simulations on quantum computers

M Motta, W Kirby, I Liepuoniute, KJ Sung… - Electronic …, 2024 - iopscience.iop.org
Quantum subspace methods (QSMs) are a class of quantum computing algorithms where
the time-independent Schrödinger equation for a quantum system is projected onto a …

Orders of magnitude increased accuracy for quantum many-body problems on quantum computers via an exact transcorrelated method

IO Sokolov, W Dobrautz, H Luo, A Alavi… - Physical Review …, 2023 - APS
Transcorrelated methods provide an efficient way of partially transferring the description of
electronic correlations from the ground-state wave function directly into the underlying …