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 STEP 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.
Registration: Coming Soon
Schedule
| Day | Time | Topic |
|---|---|---|
| June 9, 2022 | 10AM - Noon | Introduction to Basic Linux commands and practice |
| Noon - 1PM | Lunch | |
| 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 | |
| 1PM - 2PM | Running Gaussian jobs using HPC and practice | |
| 2PM - 4PM | Calculating chemistry properties and data analysis |