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Amsterdam Modeling Suite 2021: automated reactio ... (No replies)
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Dear Psi-k community,
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.
AMS2021.1 also includes an experimental release of the ParAMS Python parametrization toolkit for ReaxFF and DFTB.
D4 dispersion corrections are now also available for periodic systems (BAND, DFTB).
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).
We would like to thank our collaborators to help with improving our capabilities.
For more details see our release notes: http://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