Dr. Agnieszka Brzyska

Dr. Agnieszka Brzyska graduated from the Maria Curie-Skłodowska University in 2004. She obtained the doctor’s degree in theoretical chemistry at the same university in 2009.

Her scientific interests involve: using quantum chemistry for determination of the fundamental chemical and physical properties responsible for the structure and reactivity as well as spectroscopy of various types of molecular systems; methods of reducing the cost of quantum-chemical calculations (low-scaling QM methods); theoretical design of novel molecular materials; theoretical description of nuclear magnetic resonance spectroscopy and vibration analysis; solvent effects on the NMR and IR spectra.

Her recent research concerns mainly the responses of various molecular systems (such as oligosaccharides, peptides, prospective heterocyclic substitutes for ethanol as biofuels, mechanophores, carbon nanostructures etc.) to mechanical forces. Insight at the molecular level into the nature of changes caused by external forces in the structure of molecules can be obtained through simulations based on theoretical methods.

Dr. Agnieszka Brzyska works as an assistant professor at the Institute of Catalysis and Surface Chemistry of the Polish Academy of Sciences in Krakow.


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