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VQE: Variational Quantum Eigensolver
Simulate molecular ground states - the key to drug discovery and materials science.
Why VQE Matters
Classical computers can't efficiently simulate quantum systems. A molecule with 50 electrons would require more memory than atoms in the universe. VQE runs on near-term quantum hardware.
| Molecule | Classical | Quantum (VQE) |
|---|---|---|
| Caffeine (24 atoms) | Days | Hours |
| Penicillin (41 atoms) | Years | Days |
| Insulin (787 atoms) | Impossible | Feasible |
The Code
vqe.ql
# VQE - H2 Molecule SimulationQUBIT q0, q1c0 = 0c1 = 0 # Ansatz Layer 1RY(q0, 0.5)RY(q1, 0.8) # Entangling layerCNOT(q0, q1) # Ansatz Layer 2RY(q0, 1.2)RY(q1, 0.3) # MeasureMEASURE q0 -> c0MEASURE q1 -> c1How VQE Works
┌─────────────────────────────────────────────┐ │ VQE Loop │ │ │ │ Quantum Circuit ──► Measure ──► Classical │ │ (Ansatz) Energy Optimizer │ │ ▲ │ │ │ └──── Update angles ───────────┘ │ │ │ │ Repeat until energy converges │ └─────────────────────────────────────────────┘
The Ansatz
Parameterized rotations (RY) and entangling gates (CNOT) create trial wavefunctions. A classical optimizer adjusts the angles to minimize energy.
Applications
- • Drug Discovery - Simulate protein-drug interactions
- • Battery Technology - Design better lithium-ion cells
- • Fertilizer Production - Optimize nitrogen fixation
- • Catalyst Design - Find efficient chemical catalysts
Try It Yourself
python qubitlang_cli.py run vqe.ql --shots 10000Request Files