Computational Chemistry and Materials Modeling (MA060008)


Course Memo

Please see the course website for syllabus and other information: The course provides a graduate level overview of modern atomistic computer simulations used to model, understand and predict properties of technologically important materials. The emphasis is on practical use of techniques, algorithms and programs to bridge theory and applications, from the discovery of materials to their use in real-world technologies. Several laboratories give students direct experience with simulation methods as well as practical knowledge on how to use computational modeling and how to present and interpret results of simulations. Bridges from atomic to complex systems demonstrate potential of different theories to applications relevant to multiple major industries in the future, including nanotechnology and energy.