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B. Sc. Quantum Chemistry II - Computer Exercises

This repository contains the instructions for the practical computer exercises supervised by Prof. Carolin Müller, Dr. Christian Neiß, Dr. Nico van Eikema Hommes.

This repository provides pre-tested input and output files to support each exercise. Each exercise is organized in its own folder and includes a README file with:

  • A brief description of the task
  • Step-by-step instructions on how to run the simulations

Tip

Note: All required software is already installed on the computers in the computer lab.

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