2022 Quantum Chemistry Workshop

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Last updated: Jun 10, 2022 by Lisa Fredin

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

DayTimeTopic
June 9, 202210AM - NoonIntroduction to Basic Linux commands and practice

Noon - 1PMLunch Break

1PM - 2PMIntroduction to HPC

2PM - 4PMLinux and SLURM practice
June 10, 202210AM - 11AMIntroduction to Quantum Chemistry

11AM - NoonCreating Gaussian input files and practice

Noon - 1PMLunch Break

1PM - 2PMRunning Gaussian jobs using HPC and practice

2PM - 4PMCalculating chemistry properties and data analysis