FUNDAMENTALS OF ATOMISTIC MODELING

MS&E 760

Hands-on experience in modern tools of atomic and molecular modeling, including density functional theory, interatomic potentials, and molecular dynamics. Select additional/advanced techniques like high-throughput calculations, (Kinetic) Monte Carlo, accelerated molecular dynamics, and machine learning.

MS&E 551

Atomic, nanoscale and microscale structure of materials. Course is designed for first year graduate students with interests in materials research.

MS&E 460

An introduction to the theoretical and computational tools for computational materials, with hands on homework and laboratories. Topics may include atomistic simulation (e.g., molecular dynamics), mesoscale simulation (e.g,. Phase field method), macroscale simulation (e.g., finite element method), thermodynamic and kinetic modeling (CALPHAD method), informatics (e.g., machine learning), and special topics (e.g., solar cell design, electronic device simulation, etc.)

MS&E 550

Accelerated introduction to foundational materials concepts and the materials paradigm approach to problem solving and research. Atomic scale structure of materials; defects in crystalline materials; alloy phase diagrams, solid-state diffusion, phase transformations, microstructure development, micro/nano/atomic-scale structure-property relationships.

MS&E 250

This course is designed to provide incoming students with an overview of the structure of materials and the relation to properties. Special emphasis is placed on modern materials and recent advancements in their application.