2023 VWSCC Q-Chem Workshop

Q-Chem is pleased to have participated in the 2023 Virtual Winter School in Computational Chemistry, including a Q-Chem workshop! The 2023 VWSCC Q-Chem Workshop was held on February 9, 2023. The live sessions drew over 120 participants from across the globe, and many more were registered to attend asynchronously.

Videos of all lectures are available for viewing below. Lectures with an associated set of labs or exercises are denoted with an asterisk (*), and the exercise materials for each lecture can be found under the "Supporting Material" section on the lecture video page. It is highly recommended that you download IQmol if you intend to work through the exercises. All videos are reposted with permission from the VWSCC organizers.

Lecture Sessions

• Session 01: Introduction to Q-Chem (Shirin Faraji)
• Session 02: Introduction to IQmol (Shannon Houck) *
• Session 03: Density Functional Theory Overview (Martin Head-Gordon)
• Session 04: Geometry Optimization In Q-Chem (Peter McLaughlin) *
• Session 05: Energy Decomposition Analysis (Yuezhi Mao) *
• Session 06: Molecular Properties and Spectra Using DFT and TDDFT (Martin Head-Gordon) *
• Session 07: DFT and TDDFT Spectral Analysis Exercises (Leonardo dos Anjos Cunha and Juan Arias-Martinez)
• Session 08: Solvent Models (John Herbert)
• Session 09: Coupled Cluster Methods for Excited States to Model Spectroscopy (Anna Krylov) *
• Session 10: Introduction to CCEOM Exercises (George Baffour Pipim, Ronit Sarangi, Goran Giudetti, and Pawel Wojcik)
• Session 11: Results of CCEOM Exercises (Madhubani Mukherjee, Nayanthara Karippara Jayadev, Goran Giudetti, and Pawel Wojcik)
• Session 12: New Features in Q-Chem 6 (Andrew Gilbert)

For questions, please post on the Q-Chem Talk Forum or contact our support team at support@q-chem.com.