Photo of Johan Klarbring

Johan Klarbring

Assistant Professor

I am a theoretical material scientist focused on the development and application of so called “first-principles”, or ab initio, computational methods to study the behavior of complex materials. These methods are based in a quantum mechanical description of the electronic structure of the material under study. The use of such methods to understand, and make realistic predictions, on the properties of relevant materials typically entails performing large scale parallelized computations on supercomputers.

I focus on applying these methods in the field of energy materials, where I study materials with prospective application in, for example, solid oxide fuel cells, batteries, solar cells and thermoelectric devices.

My primary research focus involves combining ab-initio quantum mechanical methods and statistical physics to study phase stabilities and electronic properties of highly anharmonic and dynamically disordered solid materials. Other interests include the study of thermal and ionic transport in solid materials.

List of publications on Google Scholar:

https://scholar.google.se/citations?user=TP9OGRYAAAAJ&hl=sv&oi=ao

Publications

2024

Johan Klarbring, Aron Walsh (2024) Na Vacancy-Driven Phase Transformation and Fast Ion Conduction in W-Doped Na3SbS4 from Machine Learning Force Fields Chemistry of Materials (Article in journal) Continue to DOI
Jaco J. Geuchies, Johan Klarbring, Lucia Di Virgilio, Shuai Fu, Sheng Qu, Guangyu Liu, Hai Wang, Jarvist M. Frost, Aron Walsh, Mischa Bonn, Heejae Kim (2024) Anisotropic Electron-Phonon Interactions in 2D Lead-Halide Perovskites Nano Letters, Vol. 24, p. 8642-8649 (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
Fanglong Yuan, Giulia Folpini, Tianjun Liu, Utkarsh Singh, Antonella Treglia, Jia Wei Melvin Lim, Johan Klarbring, Sergei I. Simak, Igor Abrikosov, Tze Chien Sum, Annamaria Petrozza, Feng Gao (2024) Bright and stable near-infrared lead-free perovskite light-emitting diodes Nature Photonics, Vol. 18, p. 170-176 (Article in journal) Continue to DOI

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