Materials and Mechanics

The materials engineering program’s research areas include:

  1. Molecular simulations of materials based on first principle and classical approaches
  2. Computational design of low dimensional materials for energy harvesting and ultrafast optoelectronics
  3. Nucleation and solidification in aqueous environment
  4. Defects in materials
  5. Mechanical properties of advanced alloys

Research Projects

Recent Materials Engineering research projects include:

  1. “Unveiling Nucleation Mechanisms of Natural Gas Hydrate Under Realistic Conditions”.  Sponsored by National Science Foundation
  2. “Understanding Methane Hydrates Formation through Accelerated Molecular Simulations”. Sponsored by American Chemical Society Petroleum Research Fund Doctoral New Investigator
  3. “Physics and Chemistry of Deep Carbon Bearing Fluids and Minerals”. Sponsored by Alfred Sloan Foundation


Dr. Tianshu Li received both Bachelor’s and Master’s degrees in Materials Science and Engineering from Tsinghua University, and obtained his Ph.D. in Materials Science from University of California, Berkeley. Dr. Li continued his research as a post-doctoral associate in the Department of Chemistry at University of California, Davis, before joining in the Department of Civil and Environmental Engineering at George Washington University. Dr. Li’s research is focused on theory of materials. He is particularly interested in exploring materials behaviors through computational approach. Learn more about Dr. Li.