  All-atom simulations can provide molecular-level insights into the dynamics
of gas-phase, condensed-phase and surface processes. One important requirement
is a sufficiently realistic and detailed description of the underlying
intermolecular interactions. The present perspective provides an overview of
the present status of quantitative atomistic simulations from colleagues' and
our own efforts for gas- and solution-phase processes and for the dynamics on
surfaces. Particular attention is paid to direct comparison with experiment. An
outlook discusses present challenges and future extensions to bring such
dynamics simulations even closer to reality.
