2022 Quantum Chemistry Workshop
- Former user (Deleted)
- Lisa Fredin
- Kathy Frederick
Owned by Former user (Deleted)
The Department of Chemistry in collaboration with Lehigh University Research Computing is pleased to announce the 2nd Annual Lehigh Quantum Chemistry Workshop on June 9-10, 2022. This workshop will be held in STEPS 121 (in-person only) and open to all Lehigh undergraduate and graduate students, postdocs, Faculty, and staff.
This workshop will discuss using GaussView and Gaussian16 to run various molecular calculations on the Sol Cluster.
Click here to register.
Schedule
| Day | Time | Topic |
|---|---|---|
| June 9, 2022 | 10AM - Noon | Introduction to Basic Linux commands and practice |
| Noon - 1PM | Lunch Break | |
| 1PM - 2PM | Introduction to HPC | |
| 2PM - 4PM | Linux and SLURM practice | |
| June 10, 2022 | 10AM - 11AM | Introduction to Quantum Chemistry |
| 11AM - Noon | Creating Gaussian input files and practice | |
| Noon - 1PM | Lunch Break | |
| 1PM - 2PM | Running Gaussian jobs using HPC and practice | |
| 2PM - 4PM | Calculating chemistry properties and data analysis |