Quantum chemistry for metamaterial properties, IR signature reduction, and covert technology material discovery.
What quantum computers bring to computational materials discovery. Key areas include: Electronic structure problem: why strongly correlated systems defeat classical DFT; VQE for material properties: ground state energy, band structure, and electron correlation; Current hardware reality: system sizes achievable on NISQ devices versus defence material targets.
Quantum approaches to electromagnetic and thermal properties. Key areas include: Metamaterial design: predicting effective permittivity and permeability from quantum-level simulation; Radar-absorbing materials: quantum chemistry for transition metal oxide absorption mechanisms; IR signature management: thermal emissivity prediction for multi-layer stealth coatings.
The other side of the materials discovery challenge. Key areas include: Quantum dot sensors for threat detection: tunable spectral response for CBRN and explosive identification; Quantum simulation for energetic materials: predicting detonation properties and sensitivity; Counter-stealth: quantum radar concepts and the materials science behind quantum illumination receivers.
VQE calculation for a defence-relevant material system. Key areas include: Facilitator-led demonstration of a VQE calculation for a simple transition metal oxide; Interpreting results: comparing quantum simulation output with experimental data and classical DFT; Identifying the gap: what system size and error rates are needed for operationally useful predictions.
Where to focus quantum materials R&D spending. Key areas include: Near-term returns: quantum-inspired classical methods for materials screening today; Medium-term targets: early fault-tolerant quantum simulation for specific material classes; Long-term vision: full quantum simulation capability and its impact on defence materials programmes.
Government and industry early-mover initiatives. Key areas include: US DoD quantum materials discovery programmes and DARPA quantum benchmarks; European initiatives: QIA, UK National Quantum Computing Centre materials workstream.
Q&A and R&D Roadmap Planning: this session covers the core principles and technical underpinnings relevant to the subject area.
Discuss this topic with senior peers.
