mariam1972008/Quantum-Computing-for-Atmospheric-Chemistry-in-Egypt

# Quantum-Computing-for-Atmospheric-Chemistry-in-Egypt # Project Name: Quantum AI Hackathon Project This project was submitted for the *Quantum AI Hackathon* by *team-2-atmospheric_chem*. --- ## Team Members | Name | Role in Project | |------------------|-----------------------------| | Mariam Khaled | Model Development | | EzzEldin Khaled | Project Coordinator | | Nada Mohamed | Data Preprocessing | --- ## Project Overview This project was developed to participate in the Quantum AI Hackathon. The project addresses the problem of air pollution in the Nile Delta, specifically the formation of sulfate aerosols. The problem tackled is that the Nile Delta is characterized by very high humidity (exceeding 80%) year-round. This high humidity accelerates the formation of sulfate aerosols resulting from industrial emissions. To address this challenge, Team 2-atmospheric_chem performed a quantum simulation of how humidity affects the chemical reaction chain that leads to the formation of these particles. By taking this approach, the team combined classical and quantum AI methodologies to tackle this important environmental challenge. --- ## Step-by-Step Explanation ### 1. Data Preprocessing *Responsible Team Member: Nada Mohamed* Researched the topic and determined the required equations in coordination with the developer. --- ### 2. Classical Model Development *Responsible Team Member:* Mariam Khaled The classical model optimizes the geometries of SO₃ + nH₂O → H₂SO₄ clusters (n = 1–3) and computes their reaction pathway energy surfaces using classical methods HF. It then predicts reaction rates at 60–100% relative humidity using models like TST. --- ### 3. Quantum Model Development *Responsible Team Member: Mariam Khaled* This project uses a hybrid quantum-classical model to simulate the reaction pathway for: $$ SO_3 + nH_2O \rightarrow H_2SO_4 \quad (n = 1–3) $$ #### 1. Purpose of the Quantum Mo …