Dear colleagues,
It is our great pleasure to present the ADF Modeling Suite 2016, along with our new website, logo and alternative trade name: Software for Chemistry & Materials.
We invite you to try out our new release: https://www.scm.com/free-trial/
The fully-functional free demo installs hassle-free out of the box on most popular systems and the SCM team will gladly support you also during your trial.
The new release features new functionality, speed-ups, and other improvements.
For the Molecular Dynamics community we would particularly like to highlight our latest ReaxFF implementation for large scale reactive MD calculations, including new force fields and automated reaction pathways for ReaxFF trajectories. Excited state gradients have been implemented for DFTB, enabling excited state optimizations of large-scale molecules.
The ADF Modeling Suite also facilitates advanced, flexible multi-scale MD simulations via an ASE interface for all codes, job chaining and extensions to FlexMD multi-scale dynamics. It also includes the semi-empirical MOPAC and DFTB modules, with parameters including repulsive potentials for light elements and latest 3OB sets.
With the trial you are of course welcome to try out all our other functionality, including the powerful molecular Amsterdam Density Functional code, and the periodic DFT code BAND. A comprehensive listing of new functionality is available on our brand new website: https://www.scm.com/support/release-notes/
The exciting contributions from several young academic developers are highlighted in the release notes.
With kind regards,
Fedor Goumans, on behalf of the SCM team.
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