Category: News

Group Awards Round Up

The group is collecting awards faster than I can get it together to post them on the website, so here is a round up:

Soon-to-defend Ph.D. student, Thomas Knoll, will receive two awards at commencement: The Chemistry Award for Outstanding Service and the Chemistry Award for Outstanding Doctoral Student

Ubaid Hassan, who spent the summer of 2024 with us as part of the IACS DCD REU program, was awarded an NSF Graduate Research Fellowship. He is currently a Ph.D. student in the group of Andrew Rappe at U. Penn.

And last but not least, former group undergraduate Zain Zaidi was awarded the Soros Fellowship for New Americans. Zain is currently pursuing his Ph.D. at Princeton in the group of Joe Subotnik.

Congratulations and nice work, all around!

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.

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