86 citations · 634 across the 31 of their papers we have counts for
12 papers · 1 filter
Optimization of the Qubit Coupled Cluster Ansatz on classical computers
Ilya G. Ryabinkin, Seyyed Mehdi Hosseini Jenab, Scott N. Genin
Immense interest in quantum computing has prompted development of electronic structure methods that are suitable for quantum hardware. However, the slow pace at which quantum hardw…
Efficient construction of involutory linear combinations of anti-commuting Pauli generators for large-scale iterative qubit coupled cluster calculations
Ilya G. Ryabinkin, Andrew J. Jena, Scott N. Genin
We present an efficient method for construction of a fully anti-commutative set of Pauli generators (elements of the Pauli group) from a commutative set of operators that are compo…
Estimating Phosphorescent Emission Energies in Ir(III) Complexes using Large-Scale Quantum Computing Simulations
Scott N. Genin, Ilya G. Ryabinkin, Nathan R. Paisley +3
Quantum chemistry simulations that accurately predict the properties of materials are among the most highly anticipated applications of quantum computing. It is widely believed tha…
A posteriori corrections to the Iterative Qubit Coupled Cluster method to minimize the use of quantum resources in large-scale calculations
Ilya G. Ryabinkin, Artur F. Izmaylov, Scott N. Genin
The iterative qubit coupled cluster (iQCC) method is a systematic variational approach to solve the electronic structure problem on universal quantum computers. It is able to use a…
Unitary transformation of the electronic Hamiltonian with an exact quadratic truncation of the Baker-Campbell-Hausdorff expansion
Robert A. Lang, Ilya G. Ryabinkin, Artur F. Izmaylov
Application of current and near-term quantum hardware to the electronic structure problem is highly limited by qubit counts, coherence times, and gate fidelities. To address these…
Iterative Qubit Coupled Cluster approach with efficient screening of generators
Ilya G. Ryabinkin, Robert A. Lang, Scott N. Genin +1
An iterative version of the qubit coupled cluster (QCC) method [I.G. Ryabinkin et al., J. Chem. Theory Comput. 14, 6317 (2019)] is proposed. The new method seeks to find ground ele…
Symmetry adaptation in quantum chemistry calculations on a quantum computer
Ilya G. Ryabinkin, Scott N. Genin
Quantum chemistry calculations on a quantum computer frequently suffer from symmetry breaking: the situation when a state of assumed spin and number of electrons is contaminated wi…
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…
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…
Analysis of geometric phase effects in the quantum-classical Liouville formalism
Ilya G. Ryabinkin, Chang-Yu Hsieh, Raymond Kapral +1
We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electro…
Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model
Loic Joubert-Doriol, Ilya G. Ryabinkin, Artur F. Izmaylov
In molecular systems containing conical intersections (CIs), a nontrivial geometric phase (GP) appears in the nuclear and electronic wave-functions in the adiabatic representation.…
Geometric phase effects in dynamics near conical intersections: Symmetry breaking and spatial localization
Ilya G. Ryabinkin, Artur F. Izmaylov
We show that finite systems with conical intersections can exhibit spontaneous symmetry breaking which manifests itself in spatial localization of eigenstates. This localization ha…