My new hobby -- ab initio quantum computations. This one shows sodium alginate molecular orbitals.
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@academicalnerd what software did you use to do this?
My new hobby -- ab initio quantum computations. This one shows sodium alginate molecular orbitals.
@academicalnerd what software did you use to do this?
@headless
This one is from Psi4, visualized with Vesta. I now switched to Quantum Espresso.