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Lecture
Are you an EPFL student looking for a semester project?
Work with us on data science and visualisation projects, and deploy your project as an app on top of Graph Search.
This lecture covers the process of conducting potential energy scans on complex molecules, focusing on understanding the interactions between different groups and the challenges in calculating these complexes. The instructor demonstrates how to perform a rigid scan to analyze molecular structures, using butane as an example. By manipulating dihedral angles and optimizing structures, students learn how to compute rotational barriers and visualize energy profiles, providing valuable insights for various scientific applications.