In this video tip of the week Ole shows how to simulate the phase transition from graphite to diamond by optimizing the geometry under a non-uniform external stress tensor. The guI input file for the...
Last but not least in the demonstration of features by SCM staff, Olivier will demonstrate the graphical user interface to our new AMS2020 release. He will give tips & tricks on using the new features in...
Fedor will demonstrate a few new features in our 2020 release: machine learning potentials, the hybrid engine for QM/MM and multi-layer calculations, G0W0, and the new ADF input structure. See also the full release notes....
Matti will demonstrate how easy it is with the 2020 release of the Amsterdam Modeling Suite to install the machine learning backends to the AMS driver, and run quick geometry optimizations of organic molecules with...
The state-of-the-art DFT is, as it turns out, too accurate for gas-phase calculations to be relevant to materials research. Dielectric effects can be readily accounted for within the optimally tuned range-separated hybrid (OT-RSH) functional framework...