The SCM team is proud to announce the new release of the Amsterdam Modeling Suite, AMS2019!
See https://www.scm.com/AMS2019 for more information.
In this release we are happy to offer many new advanced molecular dynamics capabilities in our AMSdriver, which can work with any underlying engine providing forces & energies.
New features include Grand Canonical Monte Carlo, the molecule & gun and sink (CVD, sputtering), accelerated reactive dynamics (CVHD), and non-equilibrium MD (thermal transport). These features can now also be used with electronic structure methods, including the new fast MOPAC library and Grimme's new tight-binding method GFN1-xTB.
Small ReaxFF jobs can be considerably accelerated with OpenMP, and we have much improved GUI capabilities for building and analyzing training sets to help with (re)parameterizing reactive force fields with the CMA-ES optimizer.
We invite you to try out our software: https://www.scm.com/free-trial and look forward to your feedback!
With kind regards,
Dr. T. P. M. (Fedor) Goumans
Software for Chemistry & Materials BV
De Boelelaan 1083
1081 HV Amsterdam, The Netherlands
T +31 20 598 7625
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