PhD Student
Department of Chemistry
University of Rochester
Hutchinson Hall B28
120 Trustee Road
Rochester, New York 14627
Email: mpetrov@UR.Rochester.edu
Education
B.Sc. Chemistry, University of Turin, 2021
M.Sc. Chemistry, University of Turin, 2024
Biography
My research interests involve theoretical and computational chemistry, with a particular focus on vibrational spectroscopy and lattice dynamics. I started working on this line of research during my master’s thesis in the CRYSTAL group in Italy, where I studied an analytical strategy for calculating energies and wave functions of a vibrational double-well potential.
I am currently pursuing my PhD at the University of Rochester, where I continue to explore vibrational phenomena. My work centers on simulating lattice dynamics with DFT-based methods to investigate low-frequency IR and Raman spectra, with an emphasis on organic molecular crystals. In addition, I integrate ab initio molecular dynamics (AIMD) and machine learning approaches.