Another alternative to Gaussian: orca vs Openmolcas vs Gamess vs Psi4

Just a student who is interested in computational chemistry. I learnt to use Gromacs last year now I want to learn some other computational techniques. Saw lots of researchers using gaussian but turns out it's costly. So what might be a good all rounder alternative that would be useful to learn.

Posted Apr 1, 2023, 7:03 PM UTC

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