Computational Chemistry Group
Quantum precision for sustainable systems
Core Pillars
Our investigations span foundational molecular modeling, soil chemistry, and advanced energy storage materials.
Pillar One
Pillar Two
Pillar Three
Computational Chemistry
Agricultural Chemistry
Renewable Energy Systems
Advanced quantum-level modeling to predict molecular behavior and interactions under extreme conditions.
Designing targeted solutions for soil resilience, nutrient uptake, and sustainable crop protection.
Characterizing novel materials for next-generation solar conversion and efficient energy storage.
Our Open Science Mandate
Good science should never stay locked behind academic jargon; our work connects quantum calculations directly to real-world outcomes.
By the numbers
Impact and output
1.4M
Simulation hours annually
48
Open-access publications
12
Active research grants
5
Industry R&D partners
Explore our active projects, review our latest open datasets, or get in touch with the lab director.