PSI3 Workshop, March 2001
In mid-March of 2001, researchers from Georgia Tech and Sandia National Laboratories came to Virginia Tech for the first in a series of quantum chemistry workshops on quantum chemistry. The workshop, which was held in Daniel Crawford's lab in Davidson Hall at Virginia Tech, was attended by Prof. C. David Sherrill and Dr. Edward F. Valeev from the Department of Chemistry at Georgia Tech, and Drs. Matt Leininger and Curt Janssen with Sandia National Laboratory's Computational Sciences and Mathematics Research Department in Livermore, California. The workshop participants are all developers on the quantum chemical software packages known as PSI3 and Massively Parallel Quantum Chemistry (MPQC). The workshop discussions focused on the currently capabilities of the two packages, the status of each as a development platform for new quantum chemical models, and our future plans.
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(Upper left) Curt Janssen (left) and Edward
Valeev deep in a discussion of the MPQC infrastructure; (Upper
right) David Sherrill (left) and Matt Leininger ponder SCSI transfer
rates; (Lower left) Matt (looking vaguely evil) hacking on one of
the lab's Alpha workstations; (Lower right) David and Daniel enjoying a
bit of coupled cluster code.