Papers › Efficient Protein Ground State Energy Computation via Fragmentation and Reassembly
Efficient Protein Ground State Energy Computation via Fragmentation and Reassembly
Laia Coronas Sala, Parfait Atchade-Adelemou
The archive published only this paper's code-link row. Authors, date and abstract are from arXiv's metadata (CC0), read from the Kaggle arXiv metadata snapshot of 2026-09-12 where its title matched the archive's; the title is the archive's.
Protein characterization is one of the key components for understanding the human body and advancing drug discovery processes. While the future of quantum hardware holds the potential to accurately characterize these molecules, current efforts focus on developing strategies to fragment larger molecules into computationally manageable subsystems. In this work, we propose a novel strategy to enable quantum simulation using existing quantum algorithms. Our approach involves fragmenting proteins into their corresponding amino acids, simulating them independently, and then reassembling them post-simulation while applying chemical corrections. This methodology demonstrates its accuracy by calculating the ground state energy of relatively small peptides through reassembling, achieving a mean relative error of only 0.00469 ±0.01071%. Future directions include investigating, with larger quantum computers, whether this approach remains valid for larger proteins.
Code
Repository list and official/mentioned flags are the archive's, frozen 2025-07-28. Reachability, where shown, is from one Syntology probe window (2026-09-16 to 2026-09-18); repositories not probed show nothing. GitHub stars are not tracked.
Code Syntology ran Syntology
Not run by Syntology. Nothing on this page verifies that the listed code works.
Results from the paper archive 2025-07-28
No leaderboard rows for this paper in the archive.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections