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Chemical Transformations Initiative
Dr. Vassiliki-Alexandra Glezakou Theory and Computational Modeling Team Basic & Applied Molecular Foundations
Physical Sciences Division

A computational chemist by training with experience in correlated methods and tran-sition metal chemistry, Vanda has expanded her research portfolio to include con-densed systems relevant to materials and carbon capture, sequestration, and conversion. The focus of her recent work is the structure, vibrational spectroscopy, and structure/activity correlations in a diverse ensemble of systems that commonly include carbon dioxide. These studies have enabled an intimate knowledge of carbon dioxide chemistry that is transferrable to other research problems, including the following:

  • Catalytic activity of metal clusters on various oxide supports
  • Catalyst design for transmetalation reactions
  • Mechanistic studies for secondary methane recovery
  • Studies of CO/CO2 sorption mechanism on oxides
  • Solvent transformation for post-combustion carbon dioxide separation
  • Mechanistic studies for metal organic framework nucleation and growth
  • Solvatochromic effects in surface-supported chromophores

She works closely with experimental groups and provide insights regarding mechanistic details, as well as guide synthesis of novel catalytic systems.

Chemical Transformations Initiative