Katya Pas

Associate Professor
Theoretical Chemistry
Monash University

Clayton, VIC

Contact me for

  • mentoring
  • sitting on boards or committees
  • providing an expert opinion
  • conference presenting


Ekaterina I. Pas (née Izgorodina) was educated at the Higher Chemistry College affiliated with the Russian Academy of Sciences and graduated with both a Bachelor of Science degree in Chemistry and Master of Science degree in Theoretical Chemistry. She obtained her Dr. Rer. Nat. degree in 2004 from the University of Münster under the supervision of Prof. Stefan Grimme. After a post-doctoral position with Prof. Michelle L. Coote at the Australian National University she joined the School of Chemistry at Monash University in 2006 as a Research Fellow in Prof. Douglas R. MacFarlane’s group. From 2008 until 2016 she has held two prestigious fellowships from the Australian Research Council, an Australian Post-Doctoral Fellowship and later a Future Fellowship, that allowed her to establish the Monash Computational Chemistry Group. Her group specialises in the assessment and development of cost-effective quantum chemical methods for studying energetics of multi-scale clusters of condensed systems, including ionic liquids and organic crystals. Her research also focuses on applications of these methods for the prediction of kinetic mechanisms of chemical reactions including proton and electron transfer processes. Her passion lies in the understanding of the role of intermolecular forces and structural arrangement on physicochemical properties of condensed systems and the development of new materials for applications in energy devices such as metal-ion batteries, radical flow batteries solar and fuel cells, gas capture such as CO2, and pharmaceutical industry. She is an Associate Professor in the School Chemistry at Monash University who strongly contributes to the teaching program through the curriculum development in computational and physical chemistry.