350 citations · 705 across the 30 of their papers we have counts for
31 papers
Large-scale NMR simulation on a trapped-ion quantum computer
Pascal Stadler, Alec Owens, Etienne Granet +2
Simulating nuclear magnetic resonance (NMR) spectra is a promising application of quantum simulation. Using Quantinuum's System Model H2, a trapped-ion quantum computer, we demonst…
Learning to Prepare Molecular Ground States with Transformer Models
Alex Koziell-Pipe, Jasmine Brewer, Jem Guhit +14
Quantum state preparation is a key component of many quantum algorithms. Performing this step efficiently is essential for realizing practical quantum advantage in quantum chemistr…
A Quantum-HPC Hybrid Workflow for Reaction-Center Electronic Dynamics: Application to a Cytochrome P450-Inspired Iron-Complex Model
Shintaro Maekawa, Takao Otsuka, Riku Masui +4
We introduce population-transfer dynamics as a practical validation observable for active-space-derived reduced Hamiltonians in multistate reaction-center chemistry. Using a cytoch…
Split-Evolution Quantum Phase Estimation for Particle-Conserving Hamiltonians
Megan Cerys Rowe, Carlo A. Gaggioli, Ludmila Szulakowska +2
We present a hardware demonstration and resource analysis of split-evolution quantum phase estimation (SE-QPE) on a Quantinuum System Model H2 quantum computer. SE-QPE is a modific…
Quantum-HPC hybrid computation of biomolecular excited-state energies
Kentaro Yamamoto, Riku Masui, Takahito Nakajima +16
We develop a workflow within the ONIOM framework and demonstrate it on the hybrid computing system consisting of the supercomputer Fugaku and the Quantinuum Reimei trapped-ion quan…
Shorter width truncated Taylor series for Hamiltonian dynamics simulations
Michelle Wynne Sze, David Zsolt Manrique, David Muñoz Ramo +1
As established in the seminal work by Berry et al.[1], expanding the time evolution operator using truncated Taylor series (up to some order ) makes a good candidate for simulat…