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!
Welcome, Ubaid!
Welcome to Ubaidullah Hassan, a Chemical Engineering major from the Cooper Union, who will be joining our group this summer as an a participant in the IACS DCD REU program. Ubaid will be working with Arshad to simulate the photodynamics of an ESIPT system.
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.
Levine Research Group at Stony Brook University 