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Sergey Simak

Professor, Head of Unit

Professor

Publications

2026

Muyi Zhang, Sakarn Khamkaeo, Xinyi Cai, Utkarsh Singh, Pedram Pakmehr, Kunpot Mopoung, Yuxuan Li, Julia Morat, Kirill Chernenko, Antti Kivim盲ki, Wei-Xin Ni, Maths Karlsson, Irina A Buyanova, Weimin Chen, Sergey Simak, Igor A. Abrikosov, Yuttapoom Puttisong, Feng Gao (2026) Physical Review B, Vol. 114, Article 084308 (Article in journal)
Johan Klarbring, Stanislav Filippov, Ulrich Haussermann, Sergey Simak (2026) Scientific Reports, Vol. 16, Article 8965 (Article in journal)
Sergey Simak, Yu. Kh. Vekilov, A. B. Belonoshko, O. Yu. Vekilova (2026) COMPUTATIONAL CONDENSED MATTER, Vol. 46, Article e01254 (Article in journal)

2025

Kunpot Mopoung, Quanzheng Tao, Fabio Orlandi, Kingshuk Mukhuti, Kilian S. Ramsamoedj, Utkarsh Singh, Sakarn Khamkaeo, Muyi Zhang, Maarten W. de Dreu, Elvina Dilmieva, Emily L. Q. N. Ammerlaan, Thom Ottenbros, Steffen Wiedmann, Andrew T. Boothroyd, Peter C. M. Christianen, Sergey Simak, Johanna Ros茅n, Feng Gao, Irina Buyanova, Weimin Chen, Yuttapoom Puttisong (2025) Chemistry of Materials, Vol. 37, p. 6974-6982 (Article in journal)
M. P. Belov, O. Yu. Vekilova, A. V. Lugovskoy, O. M. Krasilnikov, Yu. Kh. Vekilov, A. B. Belonoshko, Sergey Simak (2025) Physical Review Materials, Vol. 9, Article 043604 (Article in journal)

Research

Ab initio methods and energy materials

News

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LiU researchers receive SEK 97 million from Swedish Research Council

27 researchers in natural and engineering sciences at LiU have been awarded nearly SEK 97 million for the coming four years from the Swedish Research Council. Five young researchers have received grants to build up their own research group.

Theories describe dynamically disordered solid materials

Theoretical physicists at LiU have developed a computational method to calculate the transition from one phase to another in dynamically disordered solid materials. This is a class of materials that can be used in many eco-friendly applications.

Organisation

Theory and Modelling

Pushing science forward through mathematical modelling and computer simulations.
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Theoretical Physics

Theoretical physics deals with understanding of nature. In our research we use fundamental principles and basic concepts to develop mathematical models that are then studied by means of analytical and numerical methods.
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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.