Tomáš Jíra
Ph.D. in Computational Photodynamics.
Welcome to my academic portfolio. I am a theoretical chemist who recently completed my Ph.D. within the Computational Photodynamics research group at the University of Chemistry and Technology, Prague (UCT). My academic background is heavily rooted in mathematics and data science, which naturally shapes my approach to chemical physics and theoretical research.
My primary scientific interests lie at the intersection of quantum dynamics, electronic structure theory, and mixed quantum-classical dynamics. Rather than focusing strictly on applied problems, I am fascinated by the underlying conceptual and mathematical foundations of these fields. I am particularly interested in how we understand coupled electron-nuclear motion, the time evolution of quantum mechanics, and the application of variational principles to complex systems.
Beyond the theoretical equations, I have a deep passion for programming and scientific computing. I am a firm believer that one does not truly understand a method, algorithm, or physical model until they have coded it themselves from scratch. This philosophy drives my approach to research. I prefer to dive into the exact numerical propagation and low-level implementation of a problem rather than relying solely on black-box software. Whether exploring the limits of non-adiabatic algorithms or developing new computational strategies, I approach theoretical chemistry with a software developer’s mindset. Alongside my research and coding, I also maintain a strong interest in scientific pedagogy and teaching.