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 …

Simulating quantum materials with digital quantum computers

LB Oftelie, M Urbanek, M Metcalf, J Carter… - Quantum Science …, 2021 - iopscience.iop.org
Quantum materials exhibit a wide array of exotic phenomena and practically useful
properties. A better understanding of these materials can provide deeper insights into …

Variational quantum simulators based on waveguide QED

C Tabares, A Muñoz de Las Heras, L Tagliacozzo… - Physical review …, 2023 - APS
Waveguide QED simulators are analog quantum simulators made by quantum emitters
interacting with one-dimensional photonic band gap materials. One of their remarkable …

Strategies for solving the Fermi-Hubbard model on near-term quantum computers

C Cade, L Mineh, A Montanaro, S Stanisic - Physical Review B, 2020 - APS
The Fermi-Hubbard model is of fundamental importance in condensed-matter physics, yet is
extremely challenging to solve numerically. Finding the ground state of the Hubbard model …

Quantum power method by a superposition of time-evolved states

K Seki, S Yunoki - PRX Quantum, 2021 - APS
We propose a quantum-classical hybrid algorithm of the power method, here dubbed as the
quantum power method, to evaluate H^ n| ψ⟩ with quantum computers, where n is a non …

Quantum-optimal-control-inspired ansatz for variational quantum algorithms

A Choquette, A Di Paolo, PK Barkoutsos… - Physical Review …, 2021 - APS
A central component of variational quantum algorithms (VQAs) is the state-preparation
circuit, also known as ansatz or variational form. This circuit is most commonly designed …

Calculation of the Green's function on near-term quantum computers

S Endo, I Kurata, YO Nakagawa - Physical Review Research, 2020 - APS
The Green's function plays a crucial role when studying the nature of quantum many-body
systems, especially strongly correlated systems. Although the development of quantum …

Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems

M Rossmannek, PK Barkoutsos, PJ Ollitrault… - The Journal of …, 2021 - pubs.aip.org
In the near future, material and drug design may be aided by quantum computer assisted
simulations. These have the potential to target chemical systems intractable by the most …

Resource estimation for quantum variational simulations of the Hubbard model

Z Cai - Physical Review Applied, 2020 - APS
As the advances in quantum hardware bring us into the noisy intermediate-scale quantum
(NISQ) era, one possible task we can perform without quantum error correction using NISQ …

Variational quantum eigensolver for the Heisenberg antiferromagnet on the kagome lattice

J Kattemölle, J Van Wezel - Physical Review B, 2022 - APS
Establishing the nature of the ground state of the Heisenberg antiferromagnet (HAFM) on the
kagome lattice is well-known to be a prohibitively difficult problem for classical computers …