29 citations · 105 across the 19 of their papers we have counts for
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Parallel iQCC Enables 200 Qubit Scale Quantum Chemistry on Accelerated Computing Platforms Surpassing Classical Benchmarks in Ruthenium Catalysts
Seyyed Mehdi Hosseini Jenab, Brandon Henderson, Scott N. Genin
We introduce a parallel, GPU-accelerated implementation of the iterative qubit coupled cluster (iQCC) method that overcomes the exponential growth of the transformed Hamiltonian --…
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…
Sparse Simulation of VQE Circuits
Damian S. Steiger, Thomas Häner, Scott N. Genin +1
The Variational Quantum Eigensolver (VQE) is a promising algorithm for future Noisy Intermediate-Scale Quantum (NISQ) devices to simulate chemical systems. In this paper, we consid…
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…
Pauli Partitioning with Respect to Gate Sets
Andrew Jena, Scott Genin, Michele Mosca
Measuring the expectation value of Pauli operators on prepared quantum states is a fundamental task in a multitude of quantum algorithms. Simultaneously measuring sets of operators…
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…
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…