Farnaz Heidar-Zadeh

Farnaz Heidar-Zadeh is an Assistant Professor in the Department of Chemistry at Queen's University, affiliated with the Faculty of Arts and Science. She holds cross-appointments at the Carbon to Metal Coating Institute. Her research integrates computational methods, quantum chemistry, and machine learning to predict chemical phenomena. Key areas include developing ChemTools, an open-source software package for interpreting quantum chemistry data, and adapting machine learning for molecular screening and dynamics simulations.

Education: BSc in Pure Chemistry (Shahid Beheshti University), MSc in Physical Chemistry (Shahid Beheshti University and McMaster University), PhD in Theoretical Chemistry and Physics (McMaster University and Ghent University).

Research Interests: Quantum chemistry, molecular dynamics, machine learning applications in chemistry, chemical reactivity theory, and software development for computational chemistry. Her group focuses on rigorous mathematical frameworks for empirical chemical concepts and efficient computational tools like ChemTools.

Publications highlight contributions to Hirshfeld partitioning, Fukui functions, and software libraries such as Grid and GBasis. Her work addresses challenges in molecular interaction modeling and computational efficiency for large systems.