Open-Source AIMS with PySpawn and OpenMolCas!

Check out the newest feature in PySpawn: an interface to the OpenMolCas electronic structure code. This fully open-source option allows you to run ab initio multiple spawning (AIMS) not only with CASSCF, but also several flavors of MS-CASPT2 (MS, XMS, RMS, and XDW). Keep an eye out for a corresponding manuscript to show up on ChemRxiv in the next few days. Lea-Maria Ibele and Davide Avagliano really led this effort, and it’s been a tremendous pleasure for Ben and Arshad to work with them on this!

Congratulations, Arshad!

Postdoc Arshad Mehmood will be moving to a new position as a research scientist in the Division of Information Technology at Stony Brook University. Congratulations to Arshad for this well deserved opportunity! And as a bonus, we’re very excited that despite the new position, we will still have the opportunity to work closely with him.

Hello MSU!

Prof. Levine is very excited to have joined the faculty of the MSU Chemistry Department.  Let the science begin!

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