Photo of Johan Klarbring

Johan Klarbring


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:



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


William J. Baldwin, Xia Liang, Johan Klarbring, Milos Dubajic, David Dell Angelo, Christopher Sutton, Claudia Caddeo, Samuel D. Stranks, Alessandro Mattoni, Aron Walsh, Gabor Csanyi (2023) Dynamic Local Structure in Caesium Lead Iodide: Spatial Correlation and Transient Domains Small Continue to DOI
Xia Liang, Johan Klarbring, William J. Baldwin, Zhenzhu Li, Gabor Csanyi, Aron Walsh (2023) Structural Dynamics Descriptors for Metal Halide Perovskites The Journal of Physical Chemistry C, Vol. 127, p. 19141-19151 Continue to DOI