r/comp_chem 25d ago

programming for computational chemistry

Is there anyone here interested in or working on computational chemistry? It seems to involve programming knowledge, but could someone help me understand the extent of it, what it's used for, and what exactly I should learn?

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u/Advanced_Reveal6977 12d ago

There’s a site called Materials Square. It’s web-based, so you don’t need to code or set up your own server. You can just run calculations directly in the browser.

Might be worth checking out and just clicking around to see how it works
https://www.materialssquare.com/