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Sergey Simak is a Professor and Head of Unit at Linköping University, affiliated with the Department of Physics, Chemistry and Biology (IFM), specifically within the Theoretical Physics (TEOFY) and Theory and Modelling divisions. His research focuses on computational and theoretical approaches to understanding advanced functional materials.
His research interests lie at the intersection of computational materials science and theoretical physics, particularly in ab initio methods, phase transitions, high-pressure materials, and energy-related functional materials. He develops and applies advanced modeling techniques to predict and understand the behavior of complex solid-state systems, including dynamically disordered materials and high-temperature alloys.
The recent publications highlight a strong trend in using first-principles simulations combined with machine learning to enhance materials thermodynamics and discover novel compounds under extreme conditions. His work spans from fundamental magnetic phase diagrams in iron to the synthesis of hydrogen-rich silicates and optimization of perovskite optoelectronic devices, reflecting a broad yet cohesive research program in energy materials and sustainable technologies.
Scientific recognition includes:
- Major research funding recipient from the Swedish Research Council (nearly SEK 97 million, 2019)
Sergey Simak leads a research unit focused on theory and modeling, contributing to national and international collaborations. He has secured significant grants supporting computational infrastructure and team development. While formal advisees are not listed, his leadership role and publication record suggest active mentorship within the research group.
He is part of the Theory and Modelling research environment at IFM, which develops mathematical models and computational methods to understand natural phenomena, particularly in materials science and condensed matter physics.
