181 citations · 800 across the 10 of their papers we have counts for
8 papers · 1 filter
Challenges in the use of quantum computing hardware-efficient Ansatze in electronic structure theory
Ruhee D'Cunha, T. Daniel Crawford, Mario Motta +1
Advances in quantum computation for electronic structure, and particularly heuristic quantum algorithms, create an ongoing need to characterize the performance and limitations of t…
Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
Mario Motta, Gavin O. Jones, Julia E. Rice +5
The computational description of correlated electronic structure, and particularly of excited states of many-electron systems, is an anticipated application for quantum devices. An…
Quantum Computation of Reactions on Surfaces Using Local Embedding
Tanvi P. Gujarati, Mario Motta, Triet Nguyen Friedhoff +9
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of ch…
Emerging quantum computing algorithms for quantum chemistry
Mario Motta, Julia Rice
Digital quantum computers provide a computational framework for solving the Schrödinger equation for a variety of many-particle systems. Quantum computing algorithms for the quantu…
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer
Mario Motta, Tanvi P. Gujarati, Julia E. Rice +6
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in…
Quantum Orbital-Optimized Unitary Coupled Cluster Methods in the Strongly Correlated Regime: Can Quantum Algorithms Outperform their Classical Equivalents?
Igor O. Sokolov, Panagiotis Kl. Barkoutsos, Pauline J. Ollitrault +4
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-r…
Reducing qubit requirements for quantum simulation using molecular point group symmetries
Kanav Setia, Richard Chen, Julia E. Rice +3
Simulating molecules is believed to be one of the early-stage applications for quantum computers. Current state-of-the-art quantum computers are limited in size and coherence, ther…
Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices
Qi Gao, Hajime Nakamura, Tanvi P. Gujarati +6
Currently available noisy intermediate-scale quantum (NISQ) devices are limited by the number of qubits that can be used for quantum chemistry calculations on molecules. We show he…