Rustam Z. Khaliullin is an Associate Professor in the Department of Chemistry at McGill University. He holds a B.S. from Higher Chemical College RAS (2002), a Ph.D. from the University of California Berkeley (2007), and completed postdoctoral research at ETH Zurich (2008-2011), the University of Zurich (2011-2012), and the Swiss National Science Foundation Fellowship (2012-2015). His research focuses on theoretical and computational chemistry, including quantum chemistry method development, scientific software implementation (Q-Chem and CP2K), and applications in materials, chemical physics, and green organic reactions. He teaches CHEM 505: Computer Modeling of Molecules and Materials. Research interests span: 1) novel quantum chemistry methods exploiting electron locality principles, 2) advancing computational tools for molecular and materials modeling, and 3) interdisciplinary studies of chemical processes in solids, solutions, and surfaces. Collaborations emphasize green chemistry and microscopic mechanism discovery. He has received prestigious funding including the Swiss National Science Foundation Fellowship. His contributions to open-source software (Q-Chem/CP2K) enable global scientific innovation. Current teaching emphasizes computational methods for graduate/advanced undergraduate students, covering electronic structure and statistical mechanics simulations.









