Research Areas:
- Physical
- Computational Chemistry
- Machine Learning
- Artificial Intelligence
Research:
Dr. Makos’ research focuses on advancing large-scale atomistic simulations to model chemically complex systems.
A key emphasis of her work is the integration of artificial intelligence (AI) and machine learning (ML) with computational chemistry to investigate heterogeneous and homogeneous catalysis mechanisms, as well as the behavior of materials at the atomic level.
Research in Dr. Makos’ group aims to push the boundaries of current simulation techniques, offering more accurate predictions and deeper insights into the reaction mechanisms of catalytic processes and material properties.
