2024 VWSCC: Session 1 — Introduction to IQmol

Описание к видео 2024 VWSCC: Session 1 — Introduction to IQmol

In this workshop tutorial, Andrew Gilbert (Q-Chem) gives a crash course and demonstration in IQmol, Q-Chem's graphical user interface. This tutorial gives a brief overview of building molecules, submitting calculations to the Q-Chem server, and analyzing results.

This workshop session is paired with a lab exercise, available here: https://drive.google.com/drive/u/0/fo...

This talk was given as part of the Q-Chem Workshop in the 2024 Virtual Winter School In Computational Chemistry (https://winterschool.cc/program-2024/...) and is reposted with permission.

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