Molecular Dynamics (Lecture)

Instructors: Salvalaglio Matteo

Academic Programs: Master of Science in Informatics: Applied Mathematics and Computational Science

Workload: 3 ECTS


This course is dedicated to the introduction of the basic principles of molecular dynamics simulations and their application in a variety of scientific areas ranging from computational biology to material science. The course will be focused on methods and applications of classical molecular dynamics. An introduction to the physical foundations of the method as well as an overview of the algorithms typically used in molecular dynamics will be given. Applications of molecular dynamics to problems of interest in biomolecular chemistry, material science and engineering will be presented in order to highlight challenges and opportunities o ffered by molecular dynamics in state-of-the-art research. Small projects and hands-on examples will be carried out during the course using open source software packages.

Computational Science

Use computers to simulate the world to answer «What would happen if ...»? More...

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