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Learning
UNIX/Linux Command Line Essentials → Workflow Automation and Best Practices
This learning path equips chemistry students with practical skills to run computational chemistry calculations using major software packages (Gaussian, GAMESS, ORCA, NWChem) and manage jobs in HPC environments. Starting from essential UNIX/Linux fundamentals, learners progress through input/output file formats, job submission, and result analysis, culminating in the ability to independently plan and execute computational studies.
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11 steps · 3 stages. Click any step to inspect it and see it on the Path Map.
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