Katya Pas

Monash University

Clayton, VIC

Contact me for

  • Mentoring
  • Sitting on boards or committees
  • Providing an expert opinion
  • Outreach activities
  • Conference presenting
  • Opportunities to collaborate


Katya graduated from the Higher Chemistry College affiliated with the Russian Academy of Sciences in 2000 with a Bachelor’s and Master’s degree in chemistry, both with honours. In 2004, she was awarded a Dr. Rer. Nat. degree from the University of Münster under the supervision of Prof. Grimme, in the field of Theoretical Chemistry after three years of enrolment. After two post-doctoral positions at the Australian National University and Monash University, she was appointed a Lecturer in the School of Chemistry at Monash in 2007. From 2008 until 2016 she had held two prestigious fellowships from the Australian Research Council (ARC), an Australian Post-Doctoral Fellowship and later a Future Fellowship, that allowed her to establish the Monash Computational Chemistry Group (https://mccg.erc.monash.edu/). In 2017, she was elected a Fellow of the Royal Australian Chemical Institute (RACI) and in 2019 she appeared on the list of top 100,000 researchers in the world. In 2020, she was awarded the supervisor of the year by the Victorian RACI and named to the ARC College of Experts. Her group specializes in the development of computational chemistry methods, molecular dynamics simulations and machine learning algorithms to studying large-scale systems – from condensed systems to large biomolecules with a view of contributing to green and sustainable technologies, especially in the areas of radical organic batteries, adhesive coatings and electrode materials based on environmentally friendly compounds and chemical catalysis using external electric field in ionic solvents. Her passion lies in the understanding of the role of intermolecular forces and structural arrangement in designing materials with desired physicochemical properties. Katya is a Full Professor in the School Chemistry at Monash University who strongly contributes to the teaching program through the curriculum development in computational and physical chemistry.

Katya identifies as culturally and linguistically diverse.