12 citations · 30 across the 8 of their papers we have counts for
8 papers
Benchmarking quantum trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo
Rod Rofougaran, Neil Mehta, Katherine Klymko +5
The phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) method is a stochastic imaginary-time projection method for computing ground-state properties of strongly correlated qu…
The cost of quantum algorithms for biochemistry: A case study in metaphosphate hydrolysis
Ryan LaRose, Antonios M. Alvertis, Alan Bidart +10
We evaluate the quantum resource requirements for ATP/metaphosphate hydrolysis, one of the most important reactions in all of biology with implications for metabolism, cellular sig…
Classical Pre-optimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications
J. Wayne Mullinax, Panagiotis G. Anastasiou, Jeffrey Larson +2
The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic…
Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning
Abid Khan, Prateek Vaish, Yaoqi Pang +8
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and bioch…
Surrogate optimization of variational quantum circuits
Erik J. Gustafson, Juha Tiihonen, Diana Chamaki +8
Variational quantum eigensolvers are touted as a near-term algorithm capable of impacting many applications. However, the potential has not yet been realized, with few claims of qu…
A circuit-generated quantum subspace algorithm for the variational quantum eigensolver
Mark R. Hirsbrunner, J. Wayne Mullinax, Yizhi Shen +4
Recent research has shown that wavefunction evolution in real- and imaginary-time can generate quantum subspaces with significant utility for obtaining accurate ground state energi…
Large-scale sparse wavefunction circuit simulator for applications with the variational quantum eigensolver
J. Wayne Mullinax, Norm M. Tubman
The standard paradigm for state preparation on quantum computers for the simulation of physical systems in the near term has been widely explored with different algorithmic methods…
Beyond MP2 initialization for unitary coupled cluster quantum circuits
Mark R. Hirsbrunner, Diana Chamaki, J. Wayne Mullinax +1
The unitary coupled cluster (UCC) ansatz is a promising tool for achieving high-precision results using the variational quantum eigensolver (VQE) algorithm in the NISQ era. However…