Prof. Anastassia Alexandrova

University of California Los Angeles
Department of Chemistry and Biochemistry
Address: University of California Los Angeles
Department of Chemistry and Biochemistry
607 Charles E. Young Dr. East
Young Hall 2077B
Los Angeles, CA 90095
USA
Phone: +1 310 825 3769
   
Email: ana@chem.ucla.edu
Webpage: http://www.chem.ucla.edu/~ana/
Research in Alexandrova Lab in UCLA is in theoretical chemistry of functional materials and biomolecules. We design artificial metalloenzymes that operate on non-natural substrates, or catalyze non-physiological reactions, and sometimes utilize non-physiological but highly catalytically potent metals. We study heterogeneous catalytic interfaces, such as strongly reconstructed surfaces, surfaces of semiconductors decorated with small clusters of transitions metals, and surface and cluster alloys. We study functional bulk alloys, such as superhard materials. In all of these situations, we develop new electronic structure and chemical bonding models for rationalization of properties, and targeted design. We also develop multiscale modeling methods to treat such systems in realistic ways, pertaining to their actual use, in industry, or in biology.