A place where Chemistry and Computers live together.
Tkachenko research group conducts innovative research in the field of Computational and Theoretical Chemistry. The central topics of our research group are Chemistry on Quantum Computers, Interfacial Photochemistry, and Computational Enantioselective Catalysis.
Research Topics
Our group covers a variety of interesting topics. We aim to develop quantum algorithms and ansätze adopted to strongly correlated systems, excited states, and electron-nuclear interactions; model photochemical reactions at interfaces with realistic environmental effects; and design novel homogeneous and heterogeneous catalysts.
Chemistry on Quantum Computers
Current quantum hardware lacks the capability to demonstrate practical quantum advantage, particularly for complex chemical systems. This research aims to develop methods to overcome this.
Interfacial Photochemistry
Modeling interfacial photochemistry remains computationally expensive. This research aims to develop cost-effective, reliable methods to simulate excited-state dynamics at interfaces.
Enantioselective Catalysis
Enantioselective catalysis is a cornerstone of modern synthetic chemistry, allowing the production of chiral molecules. This research aims to improve current catalyst sustainability and efficiency.
