Undergraduate Student, Department of Chemistry,  M. V. Lomonosov Moscow State University (2002-2007),  M. Sc. in Chemistry, Department of Chemistry, M. V. Lomonosov Moscow State University (2007), Thesis: "Molecular Dynamics of Nanocars", Supervisor: Prof. A. V. Nemukhin, co-supervised by Prof. A. B. Kolomeisky (Rice University, Houston, TX) Graduate Student, Department of Chemistry, Rice University (2007-present time)

 

Classical Mechanics and Molecular Dynamics: Hamiltonian systems, symplectic integrators, rigid body dynamics, etc.

Force Fields and Molecular Mechanics:Semi-empirical force fields, effective surface potentials, EAM and chemisorption potentials, bond-order conservation models.

 

Surface Phenomena: MD of surface processes, description of adsorbate-surface interactions

 

Language Theory: Grammars, formal languages, implementation of languages, semantics of constructions, deterministic automata

 

Neural Networks: Application of the neural networks to molecular dynamics and computational chemistry

 

Nanomachines: Molecular dynamics of nanocars and molecular rotors

 
Programming: Implementing various methods of computational chemistry.

 

 

 

 

 

 

 

 

Prof. Alexander Nemukhin research group: http://lcc.chem.msu.ru/

 

 

 

 

 

 H. L. Tierney, A. E. Baber, E. C. H. Sykes; A. Akimov, A. B. Kolomeisky, Dynamics of Thioether Molecular Rotors: Effects of Surface Interactions and Chain Flexibility. J. Phys. Chem. C. Article ASAP (DOI: 10.1021/jp9017844) http://pubs.acs.org/doi/abs/10.1021/jp9017844

 

 
How chain flexibility and surface interaction affect the properties of surface-mounted molecular rotors: Molecular dynamics of thioethers. SWTCC, Oct 16-17, 2009, Houston, TX