THE COMPUTATIONAL NANOMATERIALS LABORATORY
Welcome to the CompNanoLab
In the CompNanoLab we use multiscale computational modeling techniques and theoretical tools from engineering mechanics, statistical physics, and computational chemistry to gain insight into the molecular, nano, and mesoscale mechanisms that govern the remarkable behavior of nanostructured materials. We are particularly interested in understanding a wide range of complex phenomena in disordered, heterogeneous materials with applications ranging from electrocatalysis (e.g., high-entropy alloys) to sustainable infrastructure (e.g., cementitious compounds). Our ultimate aim is to provide physics-based design guidelines based on a fundamental understanding of the processing-structure-property relations for the rational development of advanced materials.