Mohammad Bagheri

Mohammad Bagheri is a doctoral researcher in computational materials physics.

His current research focuses on materials modeling and Raman spectroscopy using first-principles calculations, as well as developing high-throughput computations workflows. He is also interested in developing and using materials databases to discover novel materials for energy and quantum technology applications.

Scientific Codes and Datasets:

• Computational Raman Database: A collection of calculated Raman spectra and other related properties of a large variety of semiconductors and insulators.
• FCDimen: Python tools for analyzing the dimensionality of materials structure using force constants.

Selected Publications:

• Bagheri, M., Komsa, H-P., High-throughput computation of Raman spectra from first principles, Sci Data 10, 80 (2023).
• Bagheri, M., Komsa, H-P., Screening 0D Materials for 2D Nanoelectronics Applications, Adv. Electron.Mater. 9, 2200393 (2023).
• Bagheri, M., Berger, E., Komsa, H-P., Identification of Material Dimensionality Based on Force Constant Analysis, J. Phys. Chem. Lett. 14, 7840-7847 (2023).