The Van Lehn Group uses molecular simulations and data-centric methods to characterize, predict, and engineer the behavior of synthetic and biological soft materials for applications relevant to human health, sustainability, and energy. Group research is purely computational and is complemented by close collaborations with experimentalists. Current research directions include designing synthetic materials to interact with biological systems for applications in drug delivery and biosensing, screening solvents for polymer dissolution and depolymerization for applications in plastics recycling and biomass valorization, and understanding structure in complex liquid environments for applications in energy storage and catalysis.