Next Article in Journal
A Novel Reconfigurable Vector-Processed Interleaving Algorithm for a DVB-RCS2 Turbo Encoder
Previous Article in Journal
Sub-Synchronous Oscillation Robust Damping Method for HVDC with Embedded Energy Storage
 
 
Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
Journals
Electronics
Volume 14
Issue 13
10.3390/electronics14132601
electronics-logo
Submit to this Journal Review for this Journal Propose a Special Issue
► Article Menu

Article Menu

share Share announcement Help format_quote Cite
first_page
settings
Order Article Reprints
Font Type:
Arial Georgia Verdana
Font Size:
Aa Aa Aa
Line Spacing:
Column Width:
Background:
This is an early access version, the complete PDF, HTML, and XML versions will be available soon.
Article

A Quantum Strategy for the Simulation of Large Proteins: From Fragmentation in Small Proteins to Scalability in Complex Systems

by
Parfait Atchade-Adelomou
1,2,* and
Laia Coronas Sala
3
1
Lighthouse Disruptive Innovation Group, LLC, 1 Broadway, 14th Floor, Cambridge, MA 02142, USA
2
MIT Media Lab-City Science Group, Cambridge, MA 02139, USA
3
Lighthouse Disruptive Innovation Group Europe, SL., 08830 Barcelona, Spain
*
Author to whom correspondence should be addressed.
Electronics 2025, 14(13), 2601; https://doi.org/10.3390/electronics14132601 (registering DOI)
Submission received: 20 May 2025 / Revised: 19 June 2025 / Accepted: 23 June 2025 / Published: 27 June 2025
(This article belongs to the Special Issue Recent Advances in Quantum Information)
Review Reports Versions Notes

Abstract

We present a scalable and resource-aware framework for the quantum simulation of large proteins, grounded in systematic molecular fragmentation, analytical Toffoli gate modeling, and empirical validation. The ground-state energy of a target biomolecule is reconstructed from capped amino acid fragments, with fixed corrections to account for artificial boundaries. Analytical cost estimates—derived from reduced Hamiltonians—are benchmarked against empirical Toffoli counts using PennyLane’s resource estimation module. Our model maintains predictive accuracy across biologically relevant systems of up to 1852 electrons, capturing consistent patterns across diverse fragments. This framework enables early-stage feasibility assessments for achieving quantum advantage in biochemical simulation pipelines.
Keywords: quantum computing; protein simulation; QMProt; fragmentation; Toffoli optimization; resource estimation; glucagon quantum computing; protein simulation; QMProt; fragmentation; Toffoli optimization; resource estimation; glucagon

Share and Cite

MDPI and ACS Style

Atchade-Adelomou, P.; Sala, L.C. A Quantum Strategy for the Simulation of Large Proteins: From Fragmentation in Small Proteins to Scalability in Complex Systems. Electronics 2025, 14, 2601. https://doi.org/10.3390/electronics14132601

AMA Style

Atchade-Adelomou P, Sala LC. A Quantum Strategy for the Simulation of Large Proteins: From Fragmentation in Small Proteins to Scalability in Complex Systems. Electronics. 2025; 14(13):2601. https://doi.org/10.3390/electronics14132601

Chicago/Turabian Style

Atchade-Adelomou, Parfait, and Laia Coronas Sala. 2025. "A Quantum Strategy for the Simulation of Large Proteins: From Fragmentation in Small Proteins to Scalability in Complex Systems" Electronics 14, no. 13: 2601. https://doi.org/10.3390/electronics14132601

APA Style

Atchade-Adelomou, P., & Sala, L. C. (2025). A Quantum Strategy for the Simulation of Large Proteins: From Fragmentation in Small Proteins to Scalability in Complex Systems. Electronics, 14(13), 2601. https://doi.org/10.3390/electronics14132601

Note that from the first issue of 2016, this journal uses article numbers instead of page numbers. See further details here.

Article Metrics

Back to TopTop