Standard time-dependent and time-independent computational approaches have seen tremendous success in their application to reactive and inelastic chemical process. However, their utility is generally restricted to small numbers of atoms, low levels of internal excitation, and/or reduced spatial dimensionality. While advances in computational resources continue, the dynamical treatment of systems involving seven or so atoms is generally intractable without severe approximations for manifold reasons.
This one-day workshop brings together experts pursing other paradigms for chemical dynamics focused on three main themes: new algorithms and computing platforms (neural networks, machine learning, quantum simulation), alternative theoretical methodologies (quantum-semiclassical, kinetic theories), and nonstandard mechanisms and effects (roaming, geometric phase, external field control).
The meeting will roughly run from 1:30pm Friday to 1:00pm Saturday, with a poster session Friday evening. Participation will be limited to ~30 attendees and there is no registration fee. Inquires can be addressed to Phillip Stancil (firstname.lastname@example.org).