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Sergey Simak

Professor, Head of Unit

Professor

Publications

2025

Jiajun Qin, Jia Zhang, Xianjie Liu, Yu Wang, Heyong Wang, Utkarsh Singh, Yanyan Wang, Haoliang Wang, Tianxiang Hu, Yiqiang Zhan, Yipeng Tang, Bin Hu, Constantin Bach, Carsten Deibel, Wei-Xin Ni, Sergey Simak, Igor Abrikosov, Mats Fahlman, Feng Gao (2025) Surfactant-induced hole concentration enhancement for highly efficient perovskite light-emitting diodes Nature Materials (Article in journal) Continue to DOI

2024

Sagar Ghorai, Rafael Martinho Vieira, Vitalii Shtender, Erna K. Delczeg-Czirjak, Heike C. Herper, Sergey Simak, Torbjorn Bjorkman, Olle Eriksson, Peter Svedlindh, Martin Sahlberg (2024) Giant magnetocaloric effect in the (Mn,Fe)NiSi-system Physical Review Materials, Vol. 8, Article 124401 (Article in journal) Continue to DOI
Hongwei Lei, Utkarsh Singh, Fuxiang Ji, Tinghao Lin, Libor Kobera, Yuequn Shang, Xinyi Cai, Weihua Ning, Andrii Mahun, Sabina Abbrent, Zuojun Tan, Jiri Brus, Dehui Li, Sergey Simak, Igor Abrikosov, Feng Gao (2024) Palladium-Doped Cs2AgBiBr6 with 1300 nm Near-Infrared Photoresponse Small (Article in journal) Continue to DOI
Kunpot Mopoung, Weihua Ning, Muyi Zhang, Fuxiang Ji, Kingshuk Mukhuti, Hans Engelkamp, Peter C. M. Christianen, Utkarsh Singh, Johan Klarbring, Sergei I. Simak, Igor A. Abrikosov, Feng Gao, Irina A Buyanova, Weimin Chen, Yuttapoom Puttisong (2024) Understanding Antiferromagnetic Coupling in Lead-Free Halide Double Perovskite Semiconductors The Journal of Physical Chemistry C, Vol. 128, p. 5313-5320 (Article in journal) Continue to DOI
Florian Knoop, Nina Shulumba, Aloïs Castellano, J.P. Alvarinhas Batista, Roberta Farris, Matthieu J. Verstraete, Matthew Heine, David Broido, Dennis S. Kim, Johan Klarbring, Igor A. Abrikosov, Sergei I. Simak, Olle Hellman (2024) TDEP:Temperature Dependent Effective Potentials Journal of Open Source Software, Vol. 9, Article 6150 (Article in journal) Continue to DOI

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.

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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