Discover @gabkrenzer Open Source projects

Gabriel Krenzer (@gabkrenzer)

gabkrenzer

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PhononFlow

A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.

vaspMD

A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD) and Machine Learning Force Field Moelcular Dynamics (MLFF-MD) calculations using VASP, and post-processing tools. Scripts and files are designed to be easily modified to suit your own objectives.

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