Anastassia N. Alexandrova

Anastassia N. Alexandrova is a Professor of Chemistry and Biochemistry and Materials Science and Engineering at the University of California, Los Angeles (UCLA). She holds the Charles W. Clifford Jr. Endowed Chair and leads a research group focused on computational and theoretical design of functional materials, with applications in heterogeneous catalysis, quantum information science, and enzyme reactivity. Her work integrates quantum mechanics, machine learning, and multi-scale modeling to address environmental and energy challenges.

• Education:
  • B.S./M.S. in Chemistry, Saratov State University (2000, Summa cum laude)
  • Ph.D. in Theoretical Physical Chemistry, Utah State University (2005)
  • Postdoctoral Associate, Yale University (2005-2009)

Research interests span heterogeneous catalysis (CO2 reduction, methanol synthesis), quantum information science (qubit design, nuclear clocks), and enzyme reactivity (electric field effects, artificial metalloenzymes). Recent publications highlight her focus on dynamic catalytic interfaces, quantum functional groups, and AI-driven material discovery.

Scientific Awards:

• Royal Society of Chemistry Fellow (2024)
• Max Planck-Humboldt Medal (2021)
• NSF CAREER Award (2014)
• Sloan Research Fellowship (2013)
• DARPA Young Investigator (2011)

Her lab collaborates with experimental teams in catalysis, surface science, and quantum physics, emphasizing method development and applied projects. Students and postdocs in her group work on diverse topics from CO2 hydrogenation to topological insulators, reflecting her interdisciplinary approach.