Increasing the Representation Accuracy of Quantum Simulations of Chemistry without Extra Quantum Resources

Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver

(2019) Robert M. Parrish et al.   PHYSICAL REVIEW LETTERS

Random Compiler for Fast Hamiltonian Simulation

(2019) Earl Campbell   PHYSICAL REVIEW LETTERS

Quantum simulation of chemistry with sublinear scaling in basis size

(2019) Ryan Babbush et al.   npj Quantum Information

Characterizing quantum supremacy in near-term devices

(2018) Sergio Boixo et al.   Nature Physics

Application of fermionic marginal constraints to hybrid quantum algorithms

(2018) Nicholas C Rubin et al.   NEW JOURNAL OF PHYSICS

Quantum Simulation of Electronic Structure with Linear Depth and Connectivity

(2018) Ian D. Kivlichan et al.   PHYSICAL REVIEW LETTERS

Computation of Molecular Spectra on a Quantum Processor with an Error-Resilient Algorithm

(2018) J. I. Colless et al.   Physical Review X

Low-Depth Quantum Simulation of Materials

(2018) Ryan Babbush et al.   Physical Review X

Quantum Algorithms to Simulate Many-Body Physics of Correlated Fermions

(2018) Zhang Jiang et al.   Physical Review Applied

Witnessing eigenstates for quantum simulation of Hamiltonian spectra

(2018) Raffaele Santagati et al.   Science Advances

Quantum Chemistry Calculations on a Trapped-Ion Quantum Simulator

(2018) Cornelius Hempel et al.   Physical Review X

Encoding Electronic Spectra in Quantum Circuits with Linear T Complexity

(2018) Ryan Babbush et al.   Physical Review X

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

(2017) Robert M. Parrish et al.   Journal of Chemical Theory and Computation

Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets

(2017) Abhinav Kandala et al.   NATURE

Elucidating reaction mechanisms on quantum computers

(2017) Markus Reiher et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Large-Scale Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Methods

(2016) Jacob Fosso-Tande et al.   Journal of Chemical Theory and Computation

The theory of variational hybrid quantum-classical algorithms

(2016) Jarrod R McClean et al.   NEW JOURNAL OF PHYSICS

Exponentially more precise quantum simulation of fermions in second quantization

(2016) Ryan Babbush et al.   NEW JOURNAL OF PHYSICS

Scalable Quantum Simulation of Molecular Energies

(2016) P. J. J. O’Malley et al.   Physical Review X

Chemical basis of Trotter-Suzuki errors in quantum chemistry simulation

(2015) Ryan Babbush et al.   PHYSICAL REVIEW A

Exploiting Locality in Quantum Computation for Quantum Chemistry

(2014) Jarrod R. McClean et al.   Journal of Physical Chemistry Letters

Gate-count estimates for performing quantum chemistry on small quantum computers

(2014) Dave Wecker et al.   PHYSICAL REVIEW A

A variational eigenvalue solver on a photonic quantum processor

(2014) Alberto Peruzzo et al.   Nature Communications

Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

(2011) Péter G. Szalay et al.   CHEMICAL REVIEWS

Simulation of electronic structure Hamiltonians using quantum computers

(2011) James D. Whitfield et al.   MOLECULAR PHYSICS

Active-space two-electron reduced-density-matrix method: Complete active-space calculations without diagonalization of the N-electron Hamiltonian

(2008) Gergely Gidofalvi et al.   JOURNAL OF CHEMICAL PHYSICS