Python

Exploring the Nanoscale: Simulating Carbon Nanotubes Filled with Small Molecules

Carbon nanotubes, Computational Chemistry, Open Source, Tools, Tutorials /

In recent years, computational chemistry has become an increasingly powerful tool for exploring the properties of materials at the molecular level. However, these techniques can often be challenging to implement, requiring specialized software and expertise in computational methods. In this blog post, I’ll show you how to run quantum mechanical simulations of single-walled carbon nanotubes […]

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How to Work with JupyterLab Notebooks on Remote Servers In your Local Machine

Computational Chemistry, Workflow /

The idea is to work on a remote server, using the Python virtual environments installed there, but as snappy as if you were working in your local machine; very convenient specially when your workflow requires graphic visualization, your local machine does not have the required resources, or you simply want to have everything in one place and work from anywhere.

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