The Van Lehn group uses molecular simulations and data-centric methods to characterize, predict, and engineer the behavior of synthetic and biological soft materials. We study a range of soft materials, including nanoparticles, peptides, lipid membranes, liquid crystals, and polymers, for applications relevant to human health, sustainability, and energy. Our research is purely computational and is complemented by close collaborations with a variety of experimental groups. Current research directions include (1) designing synthetic materials to interact with biological systems for applications in drug delivery and biosensing, (2) screening solvents for polymer dissolution and depolymerization for applications in plastics recycling and biomass valorization, (3) uncovering rules governing interactions with lipid membranes for drug delivery and antimicrobial applications, and (4) understanding structure in complex liquid environments for applications in biomaterials design, energy storage, and catalysis.