Scientific Computing (SCMP)

SCMP 559 Multiscale Modeling of Chemical Systems

This course provides theoretical, conceptual, and hands-on modeling experience on three different length and time scales - (1) electronic structure (A, ps); (2) molecular mechanics (100A, ns); and (3) deterministic and stochastic approaches for microscale systems (um, sec). Students will gain hands-on experience, i.e., running codes on real applications together with the following theoretical formalisms: molecular dynamics, Monte Carlo, free energy methods, deterministic and stochastic modeling.

Course not offered every year

Also Offered As: BE 559

Prerequisites: Undergraduate courses in numeral analysis and statistical mechanics.

Activity: Lecture

1 Course Unit