Modular Software Infrastructure for Excited State Dynamics

Organizer: Prof. Alexey Akimov

Location: University at Buffalo, Buffalo, NY

Dates: 8-11 June 2018

The workshop brought together quantum chemistry and quantum dynamics experts developing methodologies and software for excited states dynamics in a broader sense, including semi-classical and quantum-classical theories of nuclear quantum and nonadiabatic effects. The workshop encompassed niche methodological developments, emphasizing the needs and capabilities of the corresponding software and will serve as a forum to discuss strategies for boosting their interoperability and modularity.

A report on the workshops outcomes is here.

Confirmed Participants:

(in alphabetical order)

  • Akimov, Alexey (University at Buffalo, SUNY)
  • Ananth, Nandini (Cornell University)
  • Batista, Victor (Yale University)
  • Chakraborty, Arindam (Syracuse University)
  • Chan, Matthew (McMaster University)
  • Garashchuk, Sophya (University of South Carolina)
  • Geva, Eitan (University of Michigan)
  • Goyal, Puja (Binghamton University)
  • Izmaylov, Artur (University of Toronto, Scarborough)
  • Huo, Pengfei (Frank) (University of Rochester)
  • Mandal, Arkajit (University of Rochester)
  • Pavanello, Michele (Rutgers University)
  • Prezhdo, Oleg (University of Southern California)
  • Pritchard, Benjamin (MolSSI)
  • Provazza, Justin (Boston University)
  • Slipchenko, Lyudmila (Purdue University)
  • Sun, Qiming (California Institute of Technology)
  • Tretiak, Sergei (Los Alamos National Laboratory)
  • Wong, Bryan (University of California, Riverside)