This course covers a range of topics and methods in multidisciplinary sciences that involve simulation and modelling. Its central aims are: (1) to describe basic theory and its numerical computation, (2) to introduce existing software that can be used to solve problems in multidisciplinary sciences, and (3) to guide students from the materials science, physics, chemistry, life science, and finance to do a discovery oriented multidisciplinary project such as new materials design, new physics exploration, energy conversion, DNA repair, drug design, or finance market prediction.