Understanding nature, designing bioinspired systems

We use theoretical chemistry to investigate the electronic structure, magnetic and spectroscopic properties, reactivity, and photochemistry of (bio)molecular systems involved in energy conversion and catalysis. Our research focuses on developing integrative computational approaches combining a variety of methods ranging from high-level wave function-based methods to density functional theory and semiempirical calculations, and applying them to generate fundamental insights and concepts for designing new functional molecular systems. Our work is inherently interdisciplinary, and we collaborate with experimental groups to connect theoretical predictions with spectroscopic and mechanistic observations.