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AMS2020 released: many new 1D and 2D capabilitie ... (No replies)

Fedor
4 years ago
Fedor 4 years ago

Dear Psi-k community,

The SCM team is happy to announce the release of the Amsterdam Modeling Suite 2020 (AMS2020).

Check out http://www.scm.com/AMS2020 for the release notes. Some new capabilities that may be of interest:
  • New for 1D and 2D periodic systems:
    • electric fields & point charges
    • QM/MM & other multi-layer (e.g. 2D hybrid DFT/DFTB calculations)
    • ReaxFF
  • G0W0 in ADF
  • ADF integration with AMS driver, enabling more efficient and advanced PES exploration
  • Much faster GFN-xTB with k-points
  • Lattice constraints and time-dependent lattice deformations
  • Delocalized coordinates for periodic systems
  • Machine learning potential backend,  including ANI-1ccx and ANI-2x potentials

We look forward to your feedback and suggestions on this release (30-day demo: http://www.scm.com/free-trial/) 

With kind regards,

On behalf of the SCM team,

Fedor Goumans

-- 
Dr. T. P. M. (Fedor) Goumans
Chief Customer Officer
Software for Chemistry & Materials BV
De Boelelaan 1083
1081 HV Amsterdam, The Netherlands

https://www.scm.com
https://twitter.com/SCM_Amsterdam
https://www.linkedin.com/company/software-for-chemistry-&-materials



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Ab initio (from electronic structure) calculation of complex processes in materials