Antti Karttunen

Professor (Associate Professor)

Department of Chemistry and Materials Science

I study inorganic materials that can be used for improving energy efficiency. My research group uses quantum chemical methods to investigate the atomic-level structures and properties of inorganic materials.

Current research areas:

Pyroelectric and thermoelectric materials for improving energy efficiency.
New functional materials based on main group elements.
Virtual and extended reality in chemical education.

Full researcher profile

https://research.aalto.fi/...

antti.karttunen@aalto.fi

Postal address

Kemistintie 1 02150 Espoo Finland

Phone number

+358503473475

Areas of expertise

116 Chemical sciences, 1 Natural sciences, Inorganic chemistry, Physical chemistry, Functional materials, semiconductors, Ceramic materials

Honors and awards

Finnish Chemical Industry Safety Award 2025

Award or honor granted for a specific work Department of Chemistry and Materials Science Jun 2025

Aalto University's Open Science Award 2024

Award or honor granted for a specific work Department of Chemistry and Materials Science Dec 2024

Aalto CHEM Educational action of the year 2020

Awarded to AALTOLAB team

Award or honor granted for a specific work Department of Chemistry and Materials Science Dec 2020

Aalto CHEM Educational action of the year 2018 award

Award or honor granted for a specific work Inorganic Materials Modelling Dec 2018

Aalto University Excellence Recognition in Education

For developing a new blended learning course "Programming course for Chemical Engineering"

Award or honor granted for a specific work Inorganic Materials Modelling Jan 2017

Research groups

Inorganic Materials Modelling, Professor (Associate Professor)

Publications

Exploring Novel Digital Assessment Methods in a Bioengineering Virtual Laboratory Training

Samuel Girmay, Rahul Mangayil, Heli Viskari, Antti J. Karttunen 2026 Computer Applications in Engineering Education

Crystal Structures and Intermolecular Interactions in α- and β-phosgene

Sven Ringelband, Jonathan Pfeiffer, A. Dominic Fortes, Christopher M. Howard, Stewart F. Parker, Antti J. Karttunen, Frank Tambornino 2026 Angewandte Chemie - International Edition

Simulated Infrared and Raman Spectra of Phosphorus Allotropes

Laura Bonometti, Giuseppe Sansone, Antti J Karttunen, Lorenzo Maschio 2025 Journal of Raman Spectroscopy

Toward a thermodynamic stability order of the phosphorus allotropes

Laura Bonometti, Giuseppe Sansone, Marcos Rivera-Almaso, Denis Usvyat, Antti Karttunen, Lorenzo Maschio 2025 RSC Advances

Heat transport properties of PbTe_1−xSe_x alloys using equivariant graph neural network interatomic potential

Kevin Conley, Colton Gerber, Andrew Novick, Terra Berriodi, Eric S. Toberer, Antti J. Karttunen 2025 Materials Horizons

Pyroelectric Properties of A-Site Ordered [K_0.5Na_0.5]NbO₃ Perovskite Studied with Hybrid Density Functional Method

Kim Eklund, Antti J. Karttunen 2025 Journal of Physical Chemistry C

Pyroelectric properties of Pb[Zr_0.5Ti_0.5]O₃ studied with a hybrid density functional method

Kim Eklund, Antti J. Karttunen 2025 Physical Chemistry Chemical Physics

Tetrahedral Cu(I) Complexes for Thermally Activated Delayed Fluorescence: A Density Functional Benchmark Study with QM/MM Models

Toni Eskelinen, Antti J. Karttunen 2025 Inorganic Chemistry

Icosahedral Clusters [In@Tr₁₂]^10–:Synthesis, Characterization, and Electronic Structure Investigations of Na₄A₆Tr₁₃ (A = Rb, Cs; Tr = In, Tl)

Melissa Janesch, Antti J. Karttunen, Stefanie Gärtner 2025 European Journal of Inorganic Chemistry

Data-efficient reactive machine learning potentials for atomic layer deposition

Joakim Jestilä, Antti Karttunen 2025