CCL: ADF Modeling Suite 2016

 Sent to CCL by: "Fedor  Goumans" [goumans*scm.com]
 Dear Computational Chemists,
 It is our great pleasure to present the ADF Modeling Suite 2016, along with our
 new
 website and logo, and an alternative trade name for SCM: Software for Chemistry
 &
 Materials.
 We invite you to try out our new release free of charge: https://www.scm.com/free-trial/
 Some highlights:
 * New XC functionals: range-separated hybrid HSE06, long-range corrected hybrids
 and
 new meta-GGAs
 * SM12 solvation model and Constrained DFT in ADF
 * Spectroscopy: excitations from CV(n)-DFT, fast TDDFT+TB and sTDDFT, X-ray
 emission, surface-enhanced ROA, new kernel for periodic TDDFT, vibrationally
 resolved
 spectra from TDDFTB, hole states in BAND
 * Improved robustness for SCC-DFTB, COSMO, periodic optimizations, new HF
 exchange scheme
 * Analysis: unrestricted and periodic energy decomposition (pEDA), Fukui
 functions,
 Natural Transition Orbitals
 * Reactivity, PES: Automated reaction pathways for ReaxFF trajectories, new
 Transition
 State search options, MECP, analytic lattice gradients
 * GUI: job chaining, multiple spectra, orbital interaction visualization
 * Scripting: ASE interface for all codes, scripting support for COSMO-RS, job
 chaining,
 extensions to FlexMD multi-scale dynamics
 * Parameters, databases: Quasinano15 including repulsive potentials for light
 elements,
 latest 3OB parameters, new parameter sets for ReaxFF, ionic liquids database
 COSMO-
 RS
 For a comprehensive listing of new functionality and improvements highlighting
 the
 exciting contributions from several young academic developers:
 https://www.scm.com/support/release-notes/
 With kind regards,
 Fedor Goumans
 --
 Dr. T. P. M. (Fedor) Goumans
 Business Developer
 Software for Chemistry & Materials (SCM)
 VU / FEW / TC
 De Boelelaan 1083
 1081 HV Amsterdam, The Netherlands
 T +31 20 598 7625
 https://www.scm.com
 https://twitter.com/SCM_Amsterdam