Johan Klarbring is a researcher in the Department of Physics, Chemistry and Biology at Linköping University, within the Faculty of Science & Engineering. His work is centered on theoretical and computational materials science, particularly focusing on complex atomic dynamics in functional materials. His research interests include: Anharmonicity in crystalline solids Phase transformations in perovskites Ion conduction in solid electrolytes Thermochromic and optoelectronic properties of lead-free perovskites Machine learning force fields for molecular dynamics First-principles modeling of dynamically disordered systems His recent publications (2022–2024) reveal a strong focus on halide perovskites and double perovskites, examining phenomena such as thermochromism, antiferromagnetic coupling, and fast ion conduction. He employs advanced computational techniques, including machine learning-accelerated molecular dynamics and ab initio methods, to uncover atomic-scale mechanisms behind macroscopic material properties. His work bridges fundamental physics with applications in energy materials, solid-state batteries, and optoelectronics. Notable scientific contributions include: Development of models for Na vacancy-driven phase stabilization in sodium ion conductors Elucidation of electron-phonon coupling as the origin of thermochromism in Cs2NaFeCl6 Analysis of diverging anharmonic behaviors in lead-based vs. lead-free perovskites Application of the TDEP method to study temperature-dependent effective potentials Investigation of ionic conductivity in doped ceria using nonequilibrium molecular dynamics Klarbring completed his doctoral thesis in 2020 titled A First-Principles Study of Highly Anharmonic and Dynamically Disordered Solids , which laid the foundation for his current research. He has collaborated with prominent researchers and institutions, and his work is supported by major funding agencies such as the Swedish Research Council, Knut and Alice Wallenberg Foundation, and the European Research Council. He is actively involved in developing and applying cutting-edge computational methodologies to address challenges in materials science. He is affiliated with the Theoretical Physics division at Linköping University and contributes to open-source scientific software development, as evidenced by his involvement in the TDEP package. There is no mention of advising students or teaching responsibilities in the provided text.
