Christoph Jacob wins Hellmann Prize and accepts professorship

Many congratulations to ADF developer Christoph Jacob for his recent Hellman Prize and his professorship at the TU Braunschweig!

ReaxFF: Teflon coating reduces Li-S battery electrolyte decomposition

Reactive cluster model of metallic glasses

Catalytic oxygenation by Ruthenium Polyoxometalates

Structure of gold-oxo nanoclusters in solution

ADF at Lab-Tech 2014

ADF at WATOC

Web presentation ADF modeling suite 2014: introduction for Australia

On October 2nd, 4pm AEST, Fedor will present an overview of the ADF modeling suite, 2014 release, in collaboration with the NCI National Facility at ANU. A hands-on workshop will be organized afterwards at ANU. 

ADF modeling suite 2014 released

In the 2014 release of the ADF modeling suite, the periodic code DFT BAND is much faster, as are the semi-empirical codes MOPAC and DFTB. ADF has a better-scaling SCF algorithm. New functionality includes NEGF-DFTB, TD-DFTB, ReaxFF force field optimizer, MBD functionals, and conformer searches.

Scandinavia tour introducing ADF modeling suite 2014

Fedor will visit Norway, Sweden and Finland to introduce the 2014 release of the ADF modeling suite to the Nordic countries. Chemists and materials scientists are cordially invited to the public seminars in Trondheim, Helsinki and Uppsala to learn about new features and capabilities as well as to discuss EU collaboration possibilities.