This project integrates electronic structure calculations, synthesis of mesogenic organic compounds, and advanced characterization methods to accelerate the design and deployment of liquid crystals (LCs) capable of responding to industrially important molecules such as NO, Cl2 and ClO2.   The approach is based on atomic-level design of the interactions of LCs with tailored metal and alloy surfaces, capitalizing on concepts related to catalysis/surface science to create stimuli-responsive soft materials. The team is building national infrastructure by promoting access to data and metadata for the scientific and industrial community, and by training a next generation workforce versed in accelerated materials deployment.