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VWSCC workshop on xTB methods

Welcome to the xTBeXtended Tight-Binding workshop in the course of the Virtual Winter School on Computational Chemistry 2025.

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Schedule

Time Activity Presenter
10:00-11:35 Introduction and overview of tight-binding theory Stefan Grimme
11:35-11:45 Break  
11:45-12:15 Presentation of the workshop format, overview of the hands-on sessions, and software installation grimme-lab
12:15-13:15 Lunch  
13:15-14:45 Practical Session 1 grimme-lab
14:45-15:00 Break  
15:00-16:30 Practical Session 2 grimme-lab
16:30-17:00 Closing words on further developments and capabilities Albert Katbashev

grimme-lab: Albert Katbashev, Christoph Plett, Leopold Seidler, Marvin Friede

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