Workshops Minerals & Mining Quantum Simulation For Mineral Discovery...

Minerals & Mining Full Day Workshop

Quantum Simulation for Mineral Discovery and Geological Modelling

This workshop shows exploration geologists and data scientists how quantum simulation accelerates mineral discovery and geological modelling in mining.

Full day (6 hours + Q&A)

In person or online

Max 30 delegates

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Workshop Description

For exploration geologists and mining data science teams. Covers VQE for crystalline mineral simulation (iron oxides, copper sulphides, lithium pegmatites), quantum-enhanced seismic and gravity inversion, and QML for drill core image analysis. Includes honest NISQ assessments against DFT and classical geophysical methods.

Mineral exploration has two computational bottlenecks where quantum simulation is being investigated. First, electronic structure calculation for crystalline materials. Understanding the electronic properties of ore minerals (bonding behaviour, phase stability, solubility) requires solving the Schrodinger equation for systems with strongly correlated electrons. Density functional theory handles most cases, but breaks down for transition metal oxides and rare earth compounds where electron correlation is strong. The Variational Quantum Eigensolver (VQE) can in principle simulate these systems more accurately, though current NISQ devices limit calculations to 10-30 qubits (small molecular clusters, not full mineral unit cells). Second, geophysical data processing. Seismic tomography, gravity inversion, and magnetic survey interpretation involve large linear systems where quantum linear algebra (the HHL algorithm) offers theoretical speedup. Classical iterative solvers handle production-scale surveys today, but the processing time for high-resolution 3D models motivates quantum research. This workshop runs VQE calculations for a reference mineral compound, compares results against DFT and experimental data, and maps the qubit requirements for production-relevant mineral simulations. Mining companies including BHP, Rio Tinto, and Vale are structuring quantum simulation pilot programmes. The workshop assesses which exploration problems will benefit first as hardware scales.

What participants cover

VQE for ore characterisation: simulating electronic structure of iron oxides, copper sulphides, and lithium pegmatites on NISQ hardware (10-30 qubits)
Classical comparison: where DFT (B3LYP, PBE functionals) handles mineral chemistry and where strongly correlated systems require quantum approaches
Quantum-enhanced seismic inversion: HHL algorithm potential for large-scale tomography matrices versus classical iterative solvers
QML for drill core analysis: parameterised quantum circuits for mineral identification in core photographs and hyperspectral logging data
Geological modelling integration: connecting quantum processing outputs to Leapfrog, Datamine, and Vulcan workflows
Research partnerships: how BHP, Rio Tinto, and Vale are structuring quantum simulation pilot programmes with hardware providers

Preliminary Agenda

Full Day Workshop structure with scheduled breaks. Content is configurable to your organisation's technical level and operational environment.

#	Session	Topics
1	Quantum Simulation for Mineral Exploration Where quantum chemistry meets geology
2	VQE for Crystalline Material Simulation Quantum chemistry approaches to ore characterisation	Variational Quantum Eigensolver (VQE): simulating electronic structure of crystalline minerals (iron oxides, copper sulphides, lithium-bearing pegmatites) for ore characterisation Basis set and active space selection: how the number of orbitals modelled determines qubit count and whether a mineral system fits on NISQ hardware (10-30 qubits for small molecules) Classical comparison: density functional theory (DFT) and coupled cluster methods handle most mineral chemistry questions today. VQE targets strongly correlated systems where DFT struggles.
Break, after 50 min
3	Quantum-Enhanced Geophysical Processing Seismic data, gravity inversion, and drill core analysis	Quantum-enhanced seismic inversion: quantum linear algebra (HHL algorithm) for large-scale seismic tomography matrices that classical solvers handle through iterative approximation Gravity and magnetic inversion: quantum speedup potential for 3D geological model fitting from airborne geophysical survey data QML for drill core image analysis: parameterised quantum circuits for mineral identification in core photographs and hyperspectral logging data
4	Interactive Demonstration VQE simulation of a mineral crystal structure	Facilitator-led VQE calculation of ground-state energy for a small iron oxide cluster (Fe2O3) using Qiskit on a 16-qubit simulator Comparing VQE results against DFT (B3LYP functional) and experimental X-ray diffraction data for the same compound Assessing the gap: what molecular size and active space a fault-tolerant quantum computer would need to simulate a full unit cell of a target mineral
Break, after 45 min
5	NISQ Limitations and Exploration Strategy Honest assessment of quantum simulation readiness for mining	Current hardware limits: VQE on NISQ devices handles 10-30 qubit simulations (small molecules), while mineral unit cells typically require 100+ qubits with error correction Ore body modelling: integrating quantum-enhanced geophysical processing into existing geological modelling workflows (Leapfrog, Datamine, Vulcan) Research partnerships: how mining companies (BHP, Rio Tinto, Vale) are structuring quantum simulation pilot programmes with hardware providers
6	Q&A and Research Roadmap

Designed and Delivered By

Workshops are designed and delivered by QSECDEF in collaboration with sector specialists. All facilitators have direct experience in both quantum technologies and minerals & mining systems.

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.

Minerals & Mining workshops are co-delivered with sector specialists who bring direct operational experience in minerals & mining organisations. This ensures workshop content is grounded in regulatory, operational, and technical realities specific to the sector.

Commission This Workshop

Sessions are configured around your organisation's technical level, operational environment, and regulatory jurisdiction. Get in touch to discuss requirements and schedule a date.

Quantum 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.

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