Hannu-Pekka Komsa

Contingent Worker
Contingent Worker
T304 Dept. Applied Physics

In my research, I take a bunch of atoms, I put them together to form materials, and then calculate everything about the materials’ properties, ideally with predictive accuracy. I am particularly interested in understanding how the material properties can be tuned by modifying its structure in the nanoscale, with special focus on defect engineering of 2D materials, with application prospects in ultrathin optoelectronics and smart materials for sensing. Another important aspect is modeling the materials’ response to external stimuli such as light or electron irradiation, to aid in material characterization by experimental techniques such as electron microscopy and Raman spectroscopy.

Research Group: EPM

List of publications and other research outputs: Aalto Research portal


Full researcher profile


[email protected]


  • Computational Electronic Structure Theory, Vierailija (opetus- ja tutkimushenkilöstö)


Raman spectra of 2D titanium carbide MXene from machine-learning force field molecular dynamics

Ethan Berger, Zhong Peng Lv, Hannu Pekka Komsa 2023 Journal of Materials Chemistry C

Highly Selective H2S Gas Sensor Based on Ti3C2TxMXene-Organic Composites

Seyed Hossein Hosseini-Shokouh, Jin Zhou, Ethan Berger, Zhong Peng Lv, Xiaodan Hong, Vesa Virtanen, Krisztian Kordas, Hannu Pekka Komsa 2023 ACS Applied Materials and Interfaces

Mirror twin boundaries in WSe2 induced by vanadium doping

V. Pathirage, K. Lasek, A. V. Krasheninnikov, H. P. Komsa, M. Batzill 2023 Materials Today Nano

Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy

Joakim Brorsson, Arsalan Hashemi, Zheyong Fan, Erik Fransson, Fredrik Eriksson, Tapio Ala-Nissila, Arkady V. Krasheninnikov, Hannu Pekka Komsa, Paul Erhart 2022 Advanced theory and simulations

Low-energy Se ion implantation in MoS2 monolayers

Minh N. Bui, Stefan Rost, Manuel Auge, Jhih Sian Tu, Lanqing Zhou, Irene Aguilera, Stefan Blügel, Mahdi Ghorbani-Asl, Arkady V. Krasheninnikov, Arsalan Hashemi, Hannu Pekka Komsa, Lei Jin, Lidia Kibkalo, Eoghan N. O’Connell, Quentin M. Ramasse, Ursel Bangert, Hans C. Hofsäss, Detlev Grützmacher, Beata E. Kardynal 2022 npj 2D Materials and Applications

Native Vacancy Defects in MXenes at Etching Conditions

Rina Ibragimova, Patrick Rinke, Hannu Pekka Komsa 2022 Chemistry of Materials

Physics and theory of defects in 2D materials: the role of reduced dimensionality

Hannu-Pekka Komsa, Arkady Krasheninnikov 2022 Defects in Two-Dimensional Materials

Synthesis and Properties of Monolayer MnSe with Unusual Atomic Structure and Antiferromagnetic Ordering

Markus Aapro, Md Nurul Huda, Karthikeyan Jeyakumar, Kezilebieke Shawulienu, Somesh Chandra Ganguli, Hector Gonzalez Herrero, Xin Huang, Peter Liljeroth, Hannu-Pekka Komsa 2021 ACS Nano

Fermiology of two-dimensional titanium carbide and nitride MXenes

Mohammad Bagheri, Rina Ibragimova, Hannu Pekka Komsa 2021 Physical Review B

Photoluminescence line shapes for color centers in silicon carbide from density functional theory calculations

Arsalan Hashemi, Christopher Linderälv, Arkady V. Krasheninnikov, Tapio Ala-Nissila, Paul Erhart, Hannu Pekka Komsa 2021 Physical Review B