CCL: Amsterdam Modeling Suite 2018 released

 Sent to CCL by: "Fedor  Goumans" [goumans*|*scm.com]
 Dear CCL,
 The SCM team is happy to announce our new major release, the Amsterdam Modeling
 Suite 2018: www.scm.com/AMS2018
 With AMS2018 we introduce a powerful driver AMS for running complex potential
 energy
 surface tasks, such as molecular dynamics, linear transits, and finding
 transition states.It is
 integrated with our own DFT, DFTB, and ReaxFF modules and easily expandable to
 external
 codes.
 Our molecular DFT code ADF offers exciting new functionality:
 -	excited gradients with COSMO and some range-separated hybrids
 -	excited constrained DFT
 -	fast UV/VIS spectra for large nanoparticles with POLTDDFT
 -	many new analysis tools: charge transfer descriptors, excited state fragment
 analysis,
 IQA, EDA without virtuals
 AMS offers AIMD and optimization under pressure for periodic structures with
 DFTB and
 our periodic DFT code BAND.
 The 2018 version of our ReaxFF contains many useful improvements:
 -	accelerating reactions: bond boost, Collective Variable Driven Hyperdynamics
 -	optimizing ReaxFF parameters with CMA-ES
 -	analysis: T-NEMD for thermal conductivity, local temperature profile,
 stress-strain +
 locally averaged stress, tracking surface reactions, on-the-fly reaction
 analysis
 The COSMO-RS module has been considerably expanded with fast estimators for
 sigma
 profiles, QSPR property prediction, UNIFAC, and a solvent mixture optimization
 tool.
 See the full release notes here: www.scm.com/AMS2018
 If you want to try out AMS2018www.scm.com/free-trial
 With kind regards,
 On behalf of the SCM team,
 Fedor Goumans