hmzbn/Challenge-Track-1-Quantum-Computing-for-Atmospheric-Chemistry-in-Egypt

Quantum Modeling of Humidity-Dependent Reaction Kinetics in the Nile Delta Title: Quantum Simulation of Sulfate Aerosol Formation under High Humidity Conditions Relevance: The Nile Delta experiences humidity >80% year-round, accelerating sulfate aerosol formation from industrial emissions. # 🌿 Quantum AI Hackathon – Team 12 ## 🧪 Project Title: Quantum Modeling of Sulfate Aerosol Formation in the Nile Delta ## 👥 Team Members and Roles Hamza Benkadour – Quantum Code Implementation, Data Collection Tassnim Sherif Ali – Chemistry Analysis, Presentation Amr Ayman Elkousy – Results Interpretation, Presentation Menna Allah Mohammed Zaied – Data Support, References, Presentation ## 🔍 Overview We modeled the humidity-dependent formation of sulfuric acid (H₂SO₄) from sulfur trioxide (SO₃) and water using a hybrid quantum-classical approach. The quantum part uses VQE to estimate ground-state energies, while the classical part models how relative humidity (RH) affects reaction rates. ## 🧬 Method Summary Quantum Simulation of H₂O, SO₃, and H₂SO₄ using VQE ΔE Calculation for reaction: SO₃ + nH₂O → H₂SO₄ (n = 1–3) Reaction Rate Modeling as a function of Relative Humidity (RH) (60–100%) Visualization of RH vs. reaction rate to study climate impact ## 📈 Key Results Ground-state energies: H₂O ≈ -74.816034 Ha SO₃ ≈ -613.795499 Ha H₂SO₄ ≈ -688.199187 Ha ΔE increases with more H₂O molecules Reaction rate increases with higher RH — supporting climate relevance ## 📽️ View the Presentation