I’m a PhD candidate at UCLA in the Alexandrova Lab. My research focuses on theoretical and computational modeling of how enzymes control chemical reactions.
Methods for electric fields in enzymes: Developed pycpet, (GitHub), to evaluate dynamics of 3D electric fields and electrostatic potentials in active sites
Electrostatic control of electronic structure in strongly correlated systems: Working on interesting metalloenzymes with complex electronic structure and understanding the role of the protein environment
Electrostatics in controlling quantum charge transfer processes: Modelling electrostatic control of dynamic PCET and electron transfer.