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.
QOTO: Question Others to Teach Ourselves An inclusive, Academic Freedom, instance All cultures welcome. Hate speech and harassment strictly forbidden.
@headless
This one is from Psi4, visualized with Vesta. I now switched to Quantum Espresso.