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 104, 035408, (2021).

toc4

CRD

High-Throughput Computation of Raman Spectra from First Principles

M. Bagheri, H.-P. Komsa

Sci. Data 10, 80, (2023).

Website

Identification of Material Dimensionality Based on Force Constant Analysis

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

J. Phys. Chem. Lett. 14, 35, 7840–7847, (2023).

toc1

toc2

Screening 0D Materials for 2D Nanoelectronics Applications

M. Bagheri, H.-P. Komsa

Adv. Electron. Mater. 9, 2200393, (2023).

Structure–Spectrum Relationship in the Calculated Raman Spectra of Silicates

M. Bagheri, H.-P. Komsa

J. Raman Spectrosc. 55 (10), 1113, (2024).

toc3

toc5

Screening of Material Defects using Universal Machine‐Learning Interatomic Potentials

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

Small 21, e03956, (2025).

Lateral Graphene-Metallene Interfaces at the Nanoscale

M. Bagheri, P. Koskinen

Nanoscale 18 (1), 188–196, (2026).

toc5

toc6

Massive Discovery of Low-Dimensional Materials from Universal Computational Strategy

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

Chem. Mater. 38 (5), 2395–2402, (2026).

Research Interests

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

Network map

map