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

Fermiology of Two-Dimensional Titanium Carbide and Nitride MXenes

M. Bagheri, R. Ibragimova, H.-P. Komsa

Phys. Rev. B 2021, 104, 035408

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CRD

High-Throughput Computation of Raman Spectra from First Principles

M. Bagheri, H.-P. Komsa

Sci. Data 2023, 10, 80.

Website

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.

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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.

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Screening of Material Defects using Universal Machine‐Learning Interatomic Potentials

E. Berger, M. Bagheri, H.-P. Komsa

Small 2025, 21, e03956.

Lateral Graphene-Metallene Interfaces at the Nanoscale

M. Bagheri, P. Koskinen

Nanoscale, 2026.

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Research Interests

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