AMS2021: automatic reaction pathways, new excited state functionality

Pes exploration automatic ts

The SCM team is happy to announce the 2021.1 release of the Amsterdam Modeling Suite.
This release features new potential energy surface exploration tools to automatically locate minima, transition states, and binding sites with all our atomistic compute engines. ADF has interesting new features for excited states (e.g. self-consistent GW, excitations between excited states, fluctuating charges polarizable force field). Further improvements in the Amsterdam Modeling Suite include a vastly accelerated ForceField engine, and a parametrization python toolkit.

See the release notes for further details. We are looking forward to your feedback and suggestions!

Automated TS search
Go to overview

Stay up to date!

Subscribe to our newsletter (5 times a year) to stay up to date about news, job openings, functionality and events such as webinars and workshops!

No sales. No spam. Occasional notifications. Unsubscribe anytime.