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1. Enhanced-Sampling-in-AMBER-tutorial Enhanced-Sampling-in-AMBER-tutorial Public

   Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)

   Python 2 1

2. Diffusivity-for-Ternary-Systems Diffusivity-for-Ternary-Systems Public

   Python

3. NEP-GPUMD-tutorial NEP-GPUMD-tutorial Public

   An example of training a NEP potential on Pt@zeolite database and running a GPUMD simulation

   Shell

4. NSF_ACCESS_template NSF_ACCESS_template Public

   LaTeX template to write proposals for NSF ACCESS requests

   TeX

5. ParGaMD ParGaMD Public

   Parallelizable Gaussian Accelerated Molecular Dynamics

   Shell 1 1

6. Data_Au_Zeo_Diffusion Data_Au_Zeo_Diffusion Public

   Supporting Data for "Stability and Dynamics of Zeolite-confined Gold Nanoclusters"

   Jupyter Notebook