Quantum chemistry in the age of quantum computing

Y Cao, J Romero, JP Olson, M Degroote… - Chemical …, 2019 - ACS Publications
Practical challenges in simulating quantum systems on classical computers have been
widely recognized in the quantum physics and quantum chemistry communities over the …

Quantum computational chemistry

S McArdle, S Endo, A Aspuru-Guzik, SC Benjamin… - Reviews of Modern …, 2020 - APS
One of the most promising suggested applications of quantum computing is solving
classically intractable chemistry problems. This may help to answer unresolved questions …

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 …

Quantum simulation for high-energy physics

CW Bauer, Z Davoudi, AB Balantekin, T Bhattacharya… - PRX quantum, 2023 - APS
It is for the first time that quantum simulation for high-energy physics (HEP) is studied in the
US decadal particle-physics community planning, and in fact until recently, this was not …

Grand unification of quantum algorithms

JM Martyn, ZM Rossi, AK Tan, IL Chuang - PRX quantum, 2021 - APS
Quantum algorithms offer significant speed-ups over their classical counterparts for a variety
of problems. The strongest arguments for this advantage are borne by algorithms for …

Theory of trotter error with commutator scaling

AM Childs, Y Su, MC Tran, N Wiebe, S Zhu - Physical Review X, 2021 - APS
The Lie-Trotter formula, together with its higher-order generalizations, provides a direct
approach to decomposing the exponential of a sum of operators. Despite significant effort …

[HTML][HTML] Hamiltonian simulation by qubitization

GH Low, IL Chuang - Quantum, 2019 - quantum-journal.org
We present the problem of approximating the time-evolution operator $ e^{-i\hat {H} t} $ to
error $\epsilon $, where the Hamiltonian $\hat {H}=(\langle G|\otimes\hat {\mathcal {I}})\hat …

Quantum singular value transformation and beyond: exponential improvements for quantum matrix arithmetics

A Gilyén, Y Su, GH Low, N Wiebe - Proceedings of the 51st Annual ACM …, 2019 - dl.acm.org
An n-qubit quantum circuit performs a unitary operation on an exponentially large, 2 n-
dimensional, Hilbert space, which is a major source of quantum speed-ups. We develop a …

Computational advantage of quantum random sampling

D Hangleiter, J Eisert - Reviews of Modern Physics, 2023 - APS
Quantum random sampling is the leading proposal for demonstrating a computational
advantage of quantum computers over classical computers. Recently the first large-scale …

Even more efficient quantum computations of chemistry through tensor hypercontraction

J Lee, DW Berry, C Gidney, WJ Huggins, JR McClean… - PRX Quantum, 2021 - APS
We describe quantum circuits with only O~(N) Toffoli complexity that block encode the
spectra of quantum chemistry Hamiltonians in a basis of N arbitrary (eg, molecular) orbitals …