APSC 457 - Computational Materials Design

Credits: (3)
Prerequisite(s): APSC 201 and APSC 301 and MATH 302 and PHYS 256
Application of computational methods to the design of materials with desired structure and performance. The methods will span multiple length and time scales, including molecular dynamics simulations, coarse graining methods, Monte Carlo simulations, finite element approaches, stochastic methods for optimization and sampling, and computational thermodynamics to model structural and thermal properties. Ways to connect methods effective at different length scales into coherent, true multi-scale solutions and applications, including experimental validation methods, will be emphasized. Lectures will be complemented by computer labs with hands-on exercises.