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Theory of disordered materials

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Publications

2025

Boburjon Mukhamedov, Ferenc Tasnadi, Igor Abrikosov (2025) Machine learning interatomic potential for the low-modulus Ti-Nb-Zr alloys in the vicinity of dynamical instability Materials & design, Vol. 253, Article 113865 (Article in journal) Continue to DOI
N. Jampaiboon, C. Atthapak, W. Sukmas, S. Khamkaeo, T. Bovornratanaraks, Björn Alling, A. Ektarawong (2025) Insight into phase stability and mechanical behavior of HfB2 and HfB12 under high pressures and high temperatures: A first-principles investigation Computational materials science, Vol. 249, Article 113662 (Article in journal) Continue to DOI
Dominique Laniel, Florian Trybel, Wenju Zhou, Andrey Aslandukov, James Spender, Ferenc Tasnadi, Timofey Fedotenko, Umbertoluca Ranieri, Akun Liang, Alena Aslandukova, Fariia I. Akbar, Yuqing Yin, Stella Chariton, Anna Pakhomova, Gaston Garbarino, Mohamed Mezouar, Michael Hanfland, Vitali Prakapenka, Igor Abrikosov, Leonid Dubrovinsky, Natalia Doubrovinckaia (2025) High-Pressure Synthesis of oP28-C3N4 Recoverable to Ambient Conditions Advanced Functional Materials, Vol. 35, Article 2416892 (Article in journal) Continue to DOI
Chayanon Atthapak, Natthapong Jampaiboon, Wiwittawin Sukmas, Björn Alling, Thiti Bovornratanaraks, Annop Ektarawong (2025) Theoretical investigation of cycling stability in TiS2 anode for zinc-ion rechargeable batteries Journal of Physics: Materials, Vol. 8, Article 015004 (Article in journal) Continue to DOI
Meena Rittiruam, Pisit Khamloet, Sirapat Tiwtusthada, Annop Ektarawong, Tinnakorn Saelee, Chayanon Atthapak, Patcharaporn Khajondetchairit, Björn Alling, Piyasan Praserthdam, Supareak Praserthdam (2025) Machine-learning-accelerated density functional theory screening of Cu-based high-entropy alloys for carbon dioxide reduction to ethylene Applied Surface Science, Vol. 684, Article 161919 (Article in journal) Continue to DOI

2024

Marian Brännvall, Gabriel Persson, Luis Casillas Trujillo, Rickard Armiento, Björn Alling (2024) Predicting the Curie temperature of magnetic materials with automated calculations across chemistries and structures Physical Review Materials, Vol. 8, Article 114417 (Article in journal) Continue to DOI
Luis Casillas Trujillo, Abhijith S Parackal, Rickard Armiento, Björn Alling (2024) Evaluating and improving the predictive accuracy of mixing enthalpies and volumes in disordered alloys from universal pretrained machine learning potentials Physical Review Materials, Vol. 8, Article 113803 (Article in journal) Continue to DOI
Niraj Kumar Singh, Victor Hjort, Sanath Kumar Honnali, Davide Gambino, Arnaud Le Febvrier, Ganpati Ramanath, Björn Alling, Per Eklund (2024) Effects of W alloying on the electronic structure, phase stability, and thermoelectric power factor in epitaxial CrN thin films Journal of Applied Physics, Vol. 136, Article 155301 (Article in journal) Continue to DOI
Raphael Unterrainer, Davide Gambino, Florian Semper, Alexander Bodenseher, Francesco Laviano, Daniele Torsello, David X. Fischer, Michael Eisterer (2024) Responsibility of small defects for the low radiation tolerance of coated conductors Superconductors Science and Technology, Vol. 37, Article 105008 (Article in journal) Continue to DOI
Andrey Aslandukov, Akun Liang, Amanda Ehn, Florian Trybel, Yuqing Yin, Alena Aslandukova, Fariia I. Akbar, Umbertoluca Ranieri, James Spender, Ross T. Howie, Eleanor Lawrence Bright, Jonathan Wright, Michael Hanfland, Gaston Garbarino, Mohamed Mezouar, Timofey Fedotenko, Igor A. Abrikosov, Natalia Dubrovinskaia, Leonid Dubrovinsky, Dominique Laniel (2024) Synthesis of LaCN3, TbCN3, CeCN5, and TbCN5 Polycarbonitrides at Megabar Pressures Journal of the American Chemical Society, Vol. 146, p. 18161-18171 (Article in journal) Continue to DOI

Contact

Principal Investigator

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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
Postdoc
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 Ashis Kundu
Ashis Kundu
Postdoc
Placeholder for missing image of Zhiwei Lu
Zhiwei Lu
Postdoc
Placeholder for missing image of Boburjon Mukhamedov
Boburjon Mukhamedov
Postdoc
Placeholder for missing image of Joakim Stenborg
Joakim Stenborg
PhD student

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.

Department of Physics, Chemistry and Biology (IFM)

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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