Materials in a fusion reactor must withstand intense radiation, high temperatures, and interactions with the plasma. This MS focuses on to understand and predict the behavior of materials in the extreme environment of a fusion reactor, using computational methods such as density functional theory, molecular dynamics, and kinetic Monte Carlo, etc. The topics of this MS include but are not limited to: 1. Fundamental Irradiation Damage Mechanisms: The high-energy neutrons produced by the fusion reaction can produce irradiation defects after collision cascades. This topic covers understanding of the fundamental mechanisms of formation of irradiation defect and evolution of the material’s microstructure. 2. Plasma-Material Interactions (PMI): The materials that directly face the super-hot plasma are exposed to intense heat and particle bombardment. Sputtering, erosion and the hydrogen/helium retention in the material are a major safety and fuel-cycle concern. This topic includes prediction of change in surface morphology over time and understanding of diffusion and trapping of defects. 3. Mechanical and Thermophysical Property Changes: This topic explores how the irradiation damage and PMI affect the material's properties, including changes in hardness, ductility, thermal conductivity, etc.