معرفی
Sergei I. Simak is a researcher at Linköping University, affiliated with the Department of Physics, Chemistry and Biology within the Faculty of Science & Engineering, and also associated with Uppsala University's Department of Physics and Astronomy, Materials Theory. His work is centered on theoretical and computational materials physics, particularly in condensed matter systems.
His research interests span condensed matter physics, materials theory, ab initio calculations, thermoelectrics, electronic structure, and phase transitions. He applies first-principles methods to study the thermodynamic, electronic, elastic, and thermal properties of novel materials such as perovskites, MAX phases, and transition metals.
The recent publication trends show a strong focus on lead-free perovskites, thermochromic materials, antiferromagnetic semiconductors, and high-pressure phase behavior. His work often involves collaboration across institutions and integrates computational modeling with experimental validation, particularly in energy-related materials.
Sergei I. Simak has been supported by major research funders including the Swedish Research Council (VR), the Knut and Alice Wallenberg Foundation, and the European Research Council (ERC). He contributes significantly to collaborative projects in functional materials and thermoelectrics.
He is involved in the development and application of advanced computational tools such as the Temperature Dependent Effective Potential (TDEP) method for phonon simulations and has contributed to software in open-source journals.
