CCL: AMS2021: automated reaction networks, new excited state functionality



 Sent to CCL by: "Fedor  Goumans" [goumans,,scm.com]
 Dear CCL'ers,
 The SCM team is proud to announce the spring release of the Amsterdam Modeling
 Suite, AMS2021.1.
 With the new PES exploration tools you can automatically locate minima,
 transition states, and binding sites with any of our atomistic codes. You can
 also refine located stationary points at a different level of theory.
 Our molecular DFT code ADF includes many new features for excited states and
 spectroscopic properties (e.g. transitions between excited states, polarizable
 force fields, GW).
 AMS2021 also includes an experimental release of the ParAMS Python
 parametrization toolkit for ReaxFF and DFTB.
 We would like to thank our collaborators to help with improving our
 capabilities.
 For more details see our release notes: www.scm.com/AMS2021
 We are looking forward to your feedback and suggestions for future features!
 Kind regards,
 Fedor, on behalf of the SCM team