[QE-users] AMS2024 release: QE integration, on-the-fly ML potentials, reaction discovery

Fedor Goumans goumans at scm.com
Thu May 23 10:41:23 CEST 2024


Dear colleagues,

The SCM team and its collaborators are happy to announce the 2024 
release of the Amsterdam Modeling Suite.

AMS2024 offers Quantum ESPRESSO integration with the central AMS driver, 
which enables advanced reaction exploration as well as on-the-fly 
training of machine learning potentials in a comprehensive platform 
where you can build workflows both from a graphical and a python user 
interface.

For more details, check out the release notes: www.scm.com/ams2024

As always: we love to hear your feedback on this version and what you 
would like to see in future updates!

Kind regards,

Fedor

-- 
Dr. T. P. M. (Fedor) Goumans
Chief Customer Officer
Software for Chemistry & Materials BV
De Boelelaan 1083
1081 HV Amsterdam, The Netherlands
T +31 20 598 7625
https://www.scm.com
https://twitter.com/SCM_Amsterdam
https://www.linkedin.com/company/software-for-chemistry-&-materials



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