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Research Interests

The research activities in our lab focus on achieving a detailed understanding of the molecular electronic structures, excited states, reaction intermediates, and transition states of various chemical reactions for the design of better catalysts, materials, and drugs.

Advanced electronic structure calculations and theoretical modeling

Molecular dynamics simulations

Applications of machine learning in chemistry

Currently inactive

world/research_interests.txt · Last modified: 2019/03/08 12:49 by talipovm