Glass transition temperature notebook

By Benjamin P Haley1, Lorena Alzate-Vargas1

1. Purdue University

Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook

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Version 1.3.2 - published on 10 Jul 2019

doi:10.21981/Y4G9-KQ47 cite this

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This Jupyter notebook shows how to drive installed Rappture tools, launch HPC simulations, visualize results, and import Python modules (hubwf, Tgcalc) for research use.

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Researchers should cite this work as follows:

  • Benjamin P Haley, Lorena Alzate-Vargas (2019), "Glass transition temperature notebook," (DOI: 10.21981/Y4G9-KQ47).

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