By Technical Paper Link
Publication Date: 2025-12-09 23:49:00
A new technical paper titled “From Promise to Practice: Benchmarking Quantum Chemistry on Quantum Hardware” was published by researchers at Rensselaer Polytechnic Institute and IBM T.J. Watson Research Center.
Abstract
“We provide a systematic evaluation of the sample-based quantum diagonalization (SQD) method for electronic structure based on the W4-11 thermochemistry dataset, comprising 124 total atomization, 83 bond dissociation, 20 isomerization, 505 heavy-atom transfer, and 13 nucleophilic substitution processes, covering diverse bonding situations and reaction mechanisms. This is the largest study assessing the accuracy and precision of a quantum-hybrid algorithm on a digital quantum device across a variety of molecular systems and chemical reactions, using 16.85 hours on the superconducting quantum processor ibm_rensselaer and 724.22 node hours on the supercomputer AiMOS. To ensure a fair comparison, our study employs commensurate resource allocation for both…
