Welcome to Multiscale Computational Mechanics & Materials Lab
Predicting and controlling the structure-property-processing relations in materials play important roles in designing advanced materials. With the recent progress in computing power, computational modeling has become very popular in studying these relations, which also enables design of new generation of materials in a faster pace. Through integrated Density Functional Theory (DFT), Molecular Dynamics (MD) and Coarse-grained MD simulation technique, as well as Concurrent atomistic–continuum (CAC) theory, our lab aims to identify the relationships between nano/microstructures and mechanical/thermal properties of various materials, including biomaterials, polymer composite, shape memory ceramics, 2D materials, etc. Our main research goal is to explore mechanics strategies for designing high performance, multifunctional, adaptive and “green” composite materials through multiscale computational approaches.