NSE 490: Nanosystems Modeling
Topics covered in course
- Concepts in molecular modeling
- Computational quantum mechanics
- Ab initio methods and density functional theory
- Molecular mechanics
- Energy minimization and related methods
- Molecular dynamics simulation methods
Students completing NSE 490 will be able to:
- know and understand the use of different modeling techniques including quantum mechanics, molecular mechanics, and molecular dynamics.
- identify and apply different computational techniques on a variety of nanosystems.
- interpret and describe the results of simulations using these techniques.
- Derive and perform calculations combining the outputs of various simulation techniques.
- Evaluate, select, and justify the steps to follow in the design of learning materials based on molecular simulations.
Course development supported by NSF CAREER grant (#CBET-0449046)