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Next half-day workshop, 5th of October: Introduction to QM/MM Simulations

October 5th, 2021

Lectures given by Tomáš Kubař (Karlsruhe Institute of Technology) and Ulrich Kleinekathöfer (Jacobs University Bremen)

This half-day workshop will give an introduction to the hybrid QM/MM (quantum mechanics/molecular mechanics) approach that is a molecular simulation method that combines the strengths of ab initio QM calculations (accuracy) and MM (speed) approaches. It is often used to study chemical processes in solution and in proteins. First an overview of the approach is given, followed by some examples of its application.

Time: 10:00 - 13:00

Location:online Half-Day workshop via zoom