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Mohammad Bagheri

Computational Physics

Education

Doctor of Science

University of Oulu, Finland
2020 - 2024

Languages

  • Persian (Native)
  • English (Professional)
  • Germany (Intermediate)
  • Finnish (Beginner)

Interests

  • Materials Informatics
  • High-throughput calculations
  • Computational Raman spectroscopy
  • Low-dimensional materials

Career Profile

I received my doctoral degree in 2024 from University of Oulu, Finland. Currently, I’m a Postdoctoral Researcher in the low-dimensional nanomaterials modeling group at University of Jyväskylä, Finland. My current research focuses on first-principles calculations applied to the properties of two-dimensional elemental metals and interfaces. I’m also interested in developing high-throughput computational workflows and materials informatics.

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.
CoRaPy - Computational Raman Python tools

Selected Publications

  • High-throughput computation of Raman spectra from first principles
    • M. Bagheri, H.-P. Komsa
    Sci. Data 2023, 10, 80.
  • Identification of Material Dimensionality Based on Force Constant Analysis
    • M. Bagheri, E. Berger, H.-P. Komsa
    J. Phys. Chem. Lett. 2023, 14, 35, 7840–7847.
  • Screening 0D Materials for 2D Nanoelectronics Applications
    • M. Bagheri, H.-P. Komsa
    Adv. Electron. Mater. 2023, 9, 2200393.
  • Structure–spectrum relationship in the calculated Raman spectra of silicates
    • M. Bagheri, H.-P. Komsa
    J. Raman Spectrosc. 2024, 55 (10), 1113.

    Skills & Proficiency

    VASP

    Quantum Espresso

    MATLAB

    ASE and ASR

    Phonopy

    BandUP

    Pymatgen and Fireworks

    Python

    Bash

    Linux

    HTML & CSS

    Mongodb