Theoretical and Computational Chemistry (TACC) -- Prof. Dage Sundholm

Welcome to the Theoretical and Computational Chemistry (TACC) research group! Our research focuses on method development in numerical and computational quantum chemistry, with applications to studies of electronic excited states and molecules in magnetic fields.  For more information on our research activities please see our website.

We have two of our own Linux clusters, "Gold" with 4 nodes and 64 cores and "Silver" with 4 nodes and 96 cores.  We additionally make use of the CSC's resources (

We host and maintain two sets of quantum computational chemistry codes on Github:

  • Our GIMIC code for calculating electron density currents
  • Our DAGE code for fully numerical electronic structure calculations