Accelerated convergence of contracted quantum eigensolvers through a quasi-second-order, locally parameterized optimization

SE Smart, DA Mazziotti - Journal of Chemical Theory and …, 2022 - ACS Publications
A contracted quantum eigensolver (CQE) finds a solution to the many-electron
Schrödinger equation by solving its integration (or contraction) to the two-electron space─ …

Correlated reference-assisted variational quantum eigensolver

NT Le, LN Tran - The Journal of Physical Chemistry A, 2023 - ACS Publications
We propose an active-space approximation to reduce the quantum resources required for
variational quantum eigensolver (VQE). Starting from the double exponential unitary …

New local explorations of the unitary coupled cluster energy landscape

HR Grimsley, NJ Mayhall - Journal of Chemical Theory and …, 2022 - ACS Publications
The recent quantum information boom has effected a resurgence of interest in the unitary
coupled cluster (UCC) theory. Our group's interest in local energy landscapes of unitary …

SHARC meets TEQUILA: Mixed Quantum-Classical Dynamics on a Quantum Computer using a Hybrid Quantum-Classical Algorithm

ES Gil, M Oppel, JS Kottmann, L González - 2024 - chemrxiv.org
Recent developments in quantum computing are highly promising, particularly in the realm
of quantum chemistry. Due to the noisy nature of currently available quantum hardware …