417 citations · 1.9k across the 73 of their papers we have counts for
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Revising measurement process in the variational quantum eigensolver: Is it possible to reduce the number of separately measured operators?
Artur F. Izmaylov, Tzu-Ching Yen, Ilya G. Ryabinkin
Current implementations of the Variational Quantum Eigensolver (VQE) technique for solving the electronic structure problem involve splitting the system qubit Hamiltonian into part…
On the Breakdown of the Ehrenfest Method for Molecular Dynamics on Surfaces
Ignacio Loaiza, Artur F. Izmaylov
Due to a continuum of electronic states present in periodic systems, the description of molecular dynamics on surfaces poses a serious computational challenge. One of the most used…
Qubit coupled-cluster method: A systematic approach to quantum chemistry on a quantum computer
Ilya G. Ryabinkin, Tzu-Ching Yen, Scott N. Genin +1
A unitary coupled-cluster (UCC) form for the wavefunction in the variational quantum eigensolver has been suggested as a systematic way to go beyond the mean-field approximation an…
Relation between fermionic and qubit mean fields in the electronic structure problem
Ilya G. Ryabinkin, Scott N. Genin, Artur F. Izmaylov
For quantum computing applications, the electronic Hamiltonian for the electronic structure problem needs to be unitarily transformed to a qubit form. We found that mean-field proc…
Constrained variational quantum eigensolver: Quantum computer search engine in the Fock space
Ilya G. Ryabinkin, Scott N. Genin, Artur F. Izmaylov
Variational quantum eigensolver (VQE) is an efficient computational method promising chemical accuracy in electronic structure calculations on a universal-gate quantum computer. Ho…
Nonadiabatic Quantum Dynamics with Frozen-Width Gaussians
Loïc Joubert-Doriol, Artur F. Izmaylov
We review techniques for simulating fully quantum nonadiabatic dynamics using the frozen-width moving Gaussian basis functions to represent the nuclear wavefunction. A choice of th…