This workshop teaches pharmaceutical R&D teams how to use quantum simulation for molecular energy calculations, binding affinity prediction and proton transfer modelling.
The chemical space of potential drug molecules is estimated at 10^60 compounds. Classical algorithms cannot explore it efficiently. Quantum chemistry simulation via variational methods offers a tractable path for specific problem classes: calculating molecular energies, predicting binding affinities, and modelling proton transfer reactions in drug synthesis. AstraZeneca's 2024 collaboration with IonQ and Amazon demonstrated a quantum-accelerated workflow for a small-molecule drug synthesis reaction, representing the first publicly documented case of a pharmaceutical company running production quantum chemistry on commercially available hardware. In 2024, IBM and Moderna reached a record-setting quantum simulation: 80 qubits simulating mRNA sequences up to 60 nucleotides, up from the previous record of 42.
The practical limits of current hardware are well-defined, and any workshop that avoids them is doing its audience a disservice. Quantum advantage in molecular simulation today is constrained to systems of roughly 10 to 50 molecular orbitals on NISQ hardware with meaningful noise mitigation. That covers a useful range of fragment-based drug design and binding energy calculations but does not extend to whole-protein simulation at clinically relevant resolution. This workshop maps the real boundary, gives participants a framework for evaluating their own target pipeline against it, and works through the vendor landscape (Algorithmiq, Pasqal, IBM, IonQ, Microsoft) with a specific focus on pharmaceutical partnership models and IP protection requirements. The full-day format includes a hands-on quantum simulation framework component; the half-day format is a briefing without the practical exercise.
Full-day session structure with scheduled breaks. Content is configurable to your team's technical level and R&D pipeline focus.
| # | Session | Topics |
|---|---|---|
| 1 | Quantum Chemistry for Drug Discovery What works now, what does not, and the honest boundary | |
| 2 | Case Studies Real-world quantum drug discovery demonstrations |
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| Break, after 35 min | ||
| 3 | Interactive Demonstration: Structuring a First Quantum Simulation Project Full-day format only |
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| 4 | NISQ Limits and the Fault-Tolerant Frontier Which tasks benefit from current versus future hardware |
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| Break, after 45 min | ||
| 5 | Vendor Landscape and Partnership Models IP protection, cost structures, and realistic ROI |
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| 6 | Q&A and Project Planning | |
Workshops are designed and delivered by QSECDEF in collaboration with sector specialists. All facilitators have direct experience in both quantum technologies and healthcare 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 clinical validation
Healthcare-specific workshops are co-delivered with sector specialists who bring direct operational experience in NHS trusts, private hospital groups, pharmaceutical R&D, and medical device manufacturing. This ensures workshop content is grounded in regulatory, clinical, and operational realities.
Sessions are configured around your R&D pipeline, target molecule classes, and existing computational infrastructure. 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.
