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Sergey Simak

Professor, Head of Unit

Professor

Presentation

Publications

2024

Kunpot Mopoung, Weihua Ning, Muyi Zhang, Fuxiang Ji, Kingshuk Mukhuti, Hans Engelkamp, Peter C. M. Christianen, Utkarsh Singh, Johan Klarbring, Sergey Simak, Igor Abrikosov, Feng Gao, Irina 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 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 Continue to DOI
Fanglong Yuan, Giulia Folpini, Tianjun Liu, Utkarsh Singh, Antonella Treglia, Jia Wei Melvin Lim, Johan Klarbring, Sergey Simak, Igor Abrikosov, Tze Chien Sum, Annamaria Petrozza, Feng Gao (2024) Bright and stable near-infrared lead-free perovskite light-emitting diodes Nature Photonics Continue to DOI

2023

Fuxiang Ji, Johan Klarbring, Bin Zhang, Feng Wang, Linqin Wang, Xiaohe Miao, Weihua Ning, Muyi Zhang, Xinyi Cai, Babak Bakhit, Martin Magnuson, Xiaoming Ren, Licheng Sun, Mats Fahlman, Irina A Buyanova, Weimin Chen, Sergei I Simak, Igor A. Abrikosov, Feng Gao (2023) Remarkable Thermochromism in the Double Perovskite Cs2NaFeCl6 Advanced Optical Materials, Article 2301102 Continue to DOI
Kristina Spektor, Holger Kohlmann, Dmitrii Druzhbin, Wilson A. Crichton, Shrikant Bhat, Sergey Simak, Olga Yu Vekilova, Ulrich Haeussermann (2023) Hypervalent hydridosilicate in the Na-Si-H system Frontiers in Chemistry, Vol. 11, Article 1251774 Continue to DOI

Research

Ab initio methods and energy materials

News

A drop is about to be dripped on to a small glass plate

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

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Theory and Modelling

Pushing science forward through mathematical modelling and computer simulations.
Igor Abrikosov visar på skärmen att vid extremt högt tryck börjar även de innersta elektronerna i atomkärnorna i metallen osmium att samverka med varandra, ett fenomen man aldrig tidigare sett

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)

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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