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Theory of disordered materials

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Publications

2026

Zhehao Chen, Aslak J. J. Fellman, Katarzyna Mulewska, Kenichiro Mizohata, Davide Gambino, Yanling Ge, Eryang Lu, Flyura Djurabekova, Andreas Delimitis, Lukasz Kurpaska, Filip Tuomisto, Kostas Sarakinos (2026) Formation of coherent nanocomposite structure in nickel-aluminum alloys synthesized far from equilibrium Acta Materialia, Vol. 302, Article 121674 (Article in journal) Continue to DOI

2025

Patcharaporn Khajondetchairit, Siriwimol Somdee, Tinnakorn Saelee, Annop Ektarawong, Björn Alling, Piyasan Praserthdam, Meena Rittiruam, Supareak Praserthdam (2025) Machine learning-accelerated density functional theory optimization of PtPd-based high-entropy alloys for hydrogen evolution catalysis International Journal of Minerals, Metallurgy and Materials, Vol. 32, p. 2777-2785 (Article in journal) Continue to DOI
Natthapong Jampaiboon, Chayanon Atthapak, Thiti Bovornratanaraks, Björn Alling, Annop Ektarawong (2025) Thermodynamic Consideration and Mechanical Behavior of Boride-Containing Solid Solutions of Hafnium-Yttrium-Boron System Revealed by a First-Principles Analysis Advanced Theory and Simulations (Article in journal) Continue to DOI
Annop Ektarawong, Chayanon Atthapak, Björn Alling (2025) Effect of titanium alloying and boron vacancies on thermodynamic stability and mechanical properties of tantalum diboride Physica Scripta, Vol. 100, Article 115904 (Article in journal) Continue to DOI
Umbertoluca Ranieri, Akun Liang, Charles Lamb, James Spender, Sarah Bolton, Andrey Aslandukov, Bernhard Massani, Ferenc Tasnadi, Pierre-Olivier Autran, James A. D. Ball, Angelika D. Rosa, Bihan Wang, Florian Trybel, Dominique Laniel (2025) High-Pressure Synthesis of Two Pb3(C3N6) Polymorphs Featuring Fully Deprotonated [C3N6]6- Melaminate Anions Journal of the American Chemical Society (Article in journal) Continue to DOI
Yuqing Yin, Leonid Dubrovinsky, Ferenc Tasnadi, Igor Abrikosov, Andrey Aslandukov, Alena Aslandukova, Fariia Iasmin Akbar, Wenju Zhou, Florian Knoop, Dominique Laniel, Anna Pakhomova, Timofey Fedotenko, Konstantin Glazyrin, Gaston Garbarino, Haixing Fang, Natalia Doubrovinckaia (2025) High-Pressure Mg3Cl7 Synthesized in a Diamond Anvil Cell as a Polar Metal with Second-Harmonic Generation Journal of the American Chemical Society, Vol. 147 (Article in journal) Continue to DOI
Marian Arale Brännvall (2025) Theoretical Modeling of Spin Dynamics, Magnetic Phase Transitions, and Spin-Lattice Coupling
Marian Arale Brännvall, Rickard Armiento, Björn Alling (2025) Predicting the Curie temperature in substitutionally disordered alloys using a first-principles based model Journal of Magnetism and Magnetic Materials, Vol. 630, Article 173361 (Article in journal) Continue to DOI
Tinnakorn Saelee, Sorawee Setasuban, Jakapob Noppakhun, Meena Rittiruam, Patcharaporn Khajondetchairit, Annop Ektarawong, Björn Alling, Rathawat Daengngern, Piyasan Praserthdam, Supareak Praserthdam (2025) Theoretical investigation on the role of external oxygen facilitating oxidative dehydrogenation of hydrogen sulfide on Fe-based oxide catalysts Fuel, Vol. 400, Article 135641 (Article in journal) Continue to DOI
Davide Sangiovanni, Adrian Kjellén, Florian Trybel, L. J. S. Johnson, Magnus Odén, Ferenc Tasnadi, Igor Abrikosov (2025) Controlled polymorphic competition - A path to tough and hard ceramics Acta Materialia, Vol. 294, Article 121121 (Article in journal) Continue to DOI

Contact

Principal Investigator

Photo of Björn Alling

Björn Alling

Professor, Head of Unit

Coworkers

Photo of Björn Alling
Björn Alling
Professor, Head of Unit
Photo of Marian Brännvall
Marian Brännvall
PhD student
Photo of Amanda Ehn
Amanda Ehn
PhD student
Photo of Davide Gambino
Davide Gambino
Photo of Sheuly Ghosh
Sheuly Ghosh
Postdoc
Photo of Santiago Gomez Jaramillo
Santiago Gomez Jaramillo
PhD student
Placeholder for missing image of Lalith Kumar Gurram
Lalith Kumar Gurram
PhD student
Photo of Nityasagar Jena
Nityasagar Jena
Postdoc
Photo of Adrian Kjellén
Adrian Kjellén
PhD student
Photo of Ashis Kundu
Ashis Kundu
Postdoc
Placeholder for missing image of Zhiwei Lu
Zhiwei Lu
Postdoc
Placeholder for missing image of Boburjon Mukhamedov
Boburjon Mukhamedov

Organisation

teaserbild teoretisk fysik

Theoretical Physics (TEOFY)

The research in the division of Theoretical Physics is focused on analyzing and explaining existing experimental observations, makeing a systematics of the generated knowledge, and using the knowledge for novel discoveries.
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Department of Physics, Chemistry and Biology (IFM)

Excellent undergraduate teaching and research in the areas of biology, chemistry, materials and applied physics and theory and modelling are conducted at this department.

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