Quantum computers are expected to transform molecular simulation, enabling accurate modelling of chemical reactions and biological molecules that are intractable for classical computers. For defence, this has dual implications: improved detection and identification of chemical and biological threat agents, and the potential for adversaries to use quantum simulation for weapons development. This session examines both sides through published research, realistic capability timelines, and treaty framework implications.
Classical computational chemistry relies on approximations (Hartree-Fock, DFT) that become unreliable for strongly correlated systems such as transition metal catalysts, enzyme active sites, and novel nerve agent analogues. Quantum algorithms like the Variational Quantum Eigensolver (VQE) and quantum phase estimation promise exact solutions for molecular ground state energies, but current NISQ hardware limits practical application to molecules with fewer than approximately 20 active orbitals. The gap between what quantum chemistry can simulate today and what would be needed for weapons-relevant molecular design is substantial.
This workshop provides a technically honest assessment of quantum computational chemistry capabilities and timelines. Participants examine VQE implementations on current hardware, the error rates that limit chemical accuracy, and projections for when fault-tolerant quantum computers could simulate molecules of defence relevance. The session also covers quantum-enhanced sensing for CBRN detection, dual-use implications under the Chemical Weapons Convention (CWC) and Biological Weapons Convention (BWC), and the policy frameworks needed to manage emerging quantum capabilities in this sensitive domain.
Deep Dive Session structure with scheduled breaks. Content is configurable to your organisation's technical level and operational environment.
| # | Session | Topics |
|---|---|---|
| 1 | Quantum Computational Chemistry Fundamentals What quantum computers can and cannot simulate today |
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| 2 | Defence Applications: Detection and Analysis Quantum-enhanced capability for CBRN defence |
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| Break, after 50 min | ||
| 3 | Dual-Use Implications and Treaty Frameworks Managing quantum capabilities under arms control |
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| 4 | Discussion and Next Steps Strategic implications for CBRN defence programmes |
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Workshops are designed and delivered by QSECDEF in collaboration with sector specialists. All facilitators have direct experience in both quantum technologies and defence systems.
Workshop design and delivery
QSECDEF brings world-leading expertise in post-quantum cryptography, quantum computing strategy, and defence-grade security assessment. Our advisory membership spans 600+ organisations and 1,200+ professionals working at the intersection of quantum technologies and critical infrastructure security.
Domain expertise and operational validation
Defence workshops are co-delivered with sector specialists who bring direct operational experience in defence organisations. This ensures workshop content is grounded in regulatory, operational, and technical realities specific to the sector.
Sessions are configured around your organisation's technical level, operational environment, and regulatory jurisdiction. Get in touch to discuss requirements and schedule a date.
Contact UsQuantum technologies are evolving quickly and new developments emerge regularly. This page was last updated on 15/03/2026. For the most current information about course content and suitability for your organisation, we recommend contacting us directly.
