CCL: AMS2021: automated reaction networks, new excited state
- From: "Fedor Goumans" <goumans++scm.com>
- Subject: CCL: AMS2021: automated reaction networks, new excited
- Date: Wed, 16 Jun 2021 11:49:47 -0400
Sent to CCL by: "Fedor Goumans" [goumans,,scm.com]
The SCM team is proud to announce the spring release of the Amsterdam Modeling
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
For more details see our release notes: www.scm.com/AMS2021
We are looking forward to your feedback and suggestions for future features!
Fedor, on behalf of the SCM team