Ph.D., Theoretical Physics
My research primarily focuses on modeling chemical and mechanical processes in porous materials, ranging from nanoporous adsorbents and catalysts to geological formations: adsorption, transport, phase transitions in confinement and in bulk, nucleation, etc.
One of the main scientific challenges nowadays is providing sustainable use of existing energy sources and the development of novel sources. Taking up this challenge, I currently work in two main directions:
(1) Modeling CO2 sequestration in geological formation
(2) Microstructural modeling of lithium-ion cells
My experience allows me to develop multi-scale models for these processes. My toolset involves a number of computational chemistry and physics methods, including first principles (ab initio) simulations, molecular simulations (Monte-Carlo and molecular Density Functional Theory), finite element analysis, and computational thermodynamics methods for fluid-phase equilibrium calculations.