Quantum chemistry beyond Born-Oppenheimer approximation on a quantum computer: A simulated phase estimation study

Adiabatic state preparation study of methylene

(2014) Libor Veis et al.   JOURNAL OF CHEMICAL PHYSICS

Exploiting Locality in Quantum Computation for Quantum Chemistry

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

Demon-like algorithmic quantum cooling and its realization with quantum optics

(2014) Jin-Shi Xu et al.   Nature Photonics

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

(2014) Dave Wecker et al.   PHYSICAL REVIEW A

From transistor to trapped-ion computers for quantum chemistry

(2014) M.-H. Yung et al.   Scientific Reports

Quantum algorithm and circuit design solving the Poisson equation

(2013) Yudong Cao et al.   NEW JOURNAL OF PHYSICS

Fundamental Vibration of Molecular Hydrogen

(2013) G. D. Dickenson et al.   PHYSICAL REVIEW LETTERS

Development of the explicitly correlated Gaussian–nuclear orbital plus molecular orbital theory: Incorporation of electron–electron correlation

(2012) Hiroaki Nishizawa et al.   CHEMICAL PHYSICS LETTERS

Universal programmable quantum circuit schemes to emulate an operator

(2012) Anmer Daskin et al.   JOURNAL OF CHEMICAL PHYSICS

The Bravyi-Kitaev transformation for quantum computation of electronic structure

(2012) Jacob T. Seeley et al.   JOURNAL OF CHEMICAL PHYSICS

Faster quantum chemistry simulation on fault-tolerant quantum computers

(2012) N Cody Jones et al.   NEW JOURNAL OF PHYSICS

Relativistic quantum chemistry on quantum computers

(2012) Libor Veis et al.   PHYSICAL REVIEW A

Simulating Chemistry Using Quantum Computers

(2011) Ivan Kassal et al.   Annual Review of Physical Chemistry

Evaluation of electron repulsion integral of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory

(2011) Hiroaki Nishizawa et al.   CHEMICAL PHYSICS LETTERS

Rigorous non-Born-Oppenheimer theory: Combination of explicitly correlated Gaussian method and nuclear orbital plus molecular orbital theory

(2011) Minoru Hoshino et al.   JOURNAL OF CHEMICAL PHYSICS

Decomposition of unitary matrices for finding quantum circuits: Application to molecular Hamiltonians

(2011) Anmer Daskin et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Electrodynamics Effects in Rovibrational Spectra of Molecular Hydrogen

(2011) Jacek Komasa et al.   Journal of Chemical Theory and Computation

Simulation of electronic structure Hamiltonians using quantum computers

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

Simulation of Chemical Isomerization Reaction Dynamics on a NMR Quantum Simulator

(2011) Dawei Lu et al.   PHYSICAL REVIEW LETTERS

Universal Digital Quantum Simulation with Trapped Ions

(2011) B. P. Lanyon et al.   SCIENCE

Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance

(2011) Zhaokai Li et al.   Scientific Reports

Adiabatic quantum simulators

(2011) J. D. Biamonte et al.   AIP Advances

Quantum computing applied to calculations of molecular energies: CH2 benchmark

(2010) Libor Veis et al.   JOURNAL OF CHEMICAL PHYSICS

Towards quantum chemistry on a quantum computer

(2010) B. P. Lanyon et al.   Nature Chemistry

NMR Implementation of a Molecular Hydrogen Quantum Simulation with Adiabatic State Preparation

(2010) Jiangfeng Du et al.   PHYSICAL REVIEW LETTERS

Non-adiabatic corrections to the energies of the pure vibrational states of H2

(2009) Sergiy Bubin et al.   CHEMICAL PHYSICS LETTERS

Quantum algorithm for molecular properties and geometry optimization

(2009) Ivan Kassal et al.   JOURNAL OF CHEMICAL PHYSICS

Determination of the ionization and dissociation energies of the hydrogen molecule

(2009) Jinjun Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic corrections to rovibrational levels of H2

(2009) Krzysztof Pachucki et al.   JOURNAL OF CHEMICAL PHYSICS

Orbit-orbit relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of H2

(2008) Monika Stanke et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum algorithm for obtaining the energy spectrum of molecular systems

(2008) Hefeng Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Polynomial-time quantum algorithm for the simulation of chemical dynamics

(2008) I. Kassal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA