From owner-chemistry:~at~:ccl.net Wed Jun 16 12:18:00 2021
From: "Fedor Goumans goumans+/-scm.com" <owner-chemistry{=}server.ccl.net>
To: CCL
Subject: CCL: AMS2021: automated reaction networks, new excited state functionality
Message-Id: <-54401-210616114949-11602-QsIGUhxMmmWFsHDkuFxzfA{=}server.ccl.net>
X-Original-From: "Fedor  Goumans" <goumans++scm.com>
Date: Wed, 16 Jun 2021 11:49:47 -0400


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