Introduction to IQmol: Building Molecules and Analyzing Results - Session 2
Offered By: QChemSoftware via YouTube
Course Description
Overview
Explore a 27-minute crash course and demonstration on IQmol, Q-Chem's graphical user interface, presented by Shannon Houck from Q-Chem as part of the 2023 Virtual Winter School in Computational Chemistry. Learn how to build molecules, submit calculations to the Q-Chem server, and analyze results. Gain insights into the IQmol interface, molecule construction techniques, job submission processes, and output analysis. Discover additional resources and exercises to enhance your understanding. Access the accompanying lab exercise and full workshop program for a comprehensive learning experience in computational chemistry.
Syllabus
Introduction
IQmol Interface
Building Molecules
Building Aspirin
Running Calculations
Submitting Jobs
Analyze Output
Additional Resources
Exercises
Installation
Taught by
QChemSoftware
Related Courses
The Quantum WorldHarvard University via edX Approximate Methods In Quantum Chemistry
Indian Institute of Technology, Kharagpur via Swayam Computational Chemistry and Classical Molecular Dynamics
NPTEL via YouTube A Mathematical Look at Electronic Structure Theory - JuliaCon 2021 Workshop
The Julia Programming Language via YouTube Breaking the Curse of Dimension in Quantum Mechanical Computations Through Analysis and Probability
Alan Turing Institute via YouTube