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Scientific_Progression_Benchmarks.md

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Here we list some of the mile markers that we have experienced and have strived for as we have progressed as scientists. (Qualitatively from easiest to hardest)

Evan

Read and understand the science behind what we do.

Go through tutorials and get set up on the clusters.

Learn to use the analysis scripts that have been written: radial distribution function, diffract, autocorrelation.

Play with other group's code and identify where in your workflow it would help: mBuild, Fresnel, Signac etc.

Write custom analysis scripts (plotting various state points and clustering algorithms).

Master opv_cg (for opv_cg people):

  • Learn the various inputs that can be or need to be used in the input scripts.

  • Create new molecule building blocks and model files.

  • Implement new features into opv.py and cme_utils.

  • Build complete run scripts for specialized systems.