Introducing Dr. Farnaz Heidar-Zadeh to the Department of Chemistry
Dr. Farnaz Heidar-Zadeh’s group in Theoretical and Computational Chemistry will develop new mathematical tools, numerical algorithms, and computer software to qualitatively and quantitatively predict the outcome of chemical phenomena. Her group is the lead developer of the free and open-source ChemTools software package, which encompasses a collection of tools for interpreting the numerical output of quantum chemistry calculations to gain chemical insight. They combine strategies from quantum chemistry and state-of-the-art machine learning methods to develop rapid, accurate, and efficient techniques to computationally predict molecular properties, and ultimately design molecules with desirable properties. .