Special Programs

You are invited to the program tagged

🌍2025 ProMolSim 3.0

Theme:

Computer-Aided Engineering of Processes and Reactive Materials Interface for Environmental Applications – Facilitating the Speed of Experimental Discovery

📅 Dates:

October 14 – 25, 2025 (9:00 am – 6:00 pm daily)

📍 Venue:

Chemical Engineering Department Conference Room, PTDF New Building, Ahmadu Bello University, Zaria, Nigeria

Organized by:

Pencil Team (PT) & CEPRIs Research Group

In Collaboration with:

Wavefunction Inc. & Matrix Fertilizer Limited

🔑 Focus Areas

✅ Process Simulation Concepts – linking molecular modeling insights with process-scale simulation for sustainable chemical engineering design.

✅ Molecular Modeling – investigating reactivity and properties of advanced materials for adsorption, catalysis, drug design, and water treatment.

✅ Reaction Mechanism Generation—automated construction of reaction pathways & kinetics simulation for pollutant degradation, combustion, and biofuel conversion.

🌱 Why It Matters

Environmental challenges such as pollution, greenhouse gas emissions, and waste-to-energy conversion require faster, smarter solutions. ProMolSim 2025 equips participants with computational tools to:
✅ Predict material performance before lab trials
✅ Design new processes with minimal cost and time
✅ Accelerate mechanism discovery for complex reactions
✅ Integrate molecular modeling with process simulation for real-world impact

🎯 Outcomes

By the end of the workshop, participants will be able to:

✅ Use microkinetic modeling & RMG-Py to explore reaction mechanisms

✅ Employ Spartan & Avogadro for materials and molecular simulations

✅ Differentiate molecular-scale simulation from process-scale simulation

✅ Work in teams to tackle case studies on environmental applications

👥 Eligibility

The program is open to both undergraduate and postgraduate students from the Departments of Chemical, Polymer, or Materials Engineering at Ahmadu Bello University, Zaria. Due to limited capacity, all submissions will be screened, and only shortlisted candidates will be invited to participate. Applicants must demonstrate commitment, punctuality, availability, and a satisfactory level of proficiency throughout the two-week program in order to receive an attestation of participation.