In this video tip of the week Ole shows how to use the ANI-2x machine learning potential to calculate the Elastic Tensor and mechanical properties of Kevlar. The input file for the calculation is available...
The SCM team proudly announce our new AMS2023 release, with many new features and improvements! With the new M3GNet universal graph neural network potential, you can explore the potential energy surface (PES) and run molecular...
Fedor, Ole, and Thomas will give a 3-hours online workshop for the virtual winter school on 24 February, 2-5pm CET. Please register to participate and receive a demo license to follow along. In the 2020...
To boost our materials discovery solutions, we join forces with Kebotix, experts in secure, scalable, AI-accelerated workflows (press release). SCM and Kebotix are developing an integrated software platform to enable researchers to develop new and...
At the TechConnect Europe meeting in Malmö, Fedor will present a technical talk as well as an innovation pitch on Accelerated Materials Innovation Through Machine-Learning Assisted Atomistic Modeling. By combining active learning with atomistic methods,...
In arson cases, evidence such as DNA or fingerprints is often destroyed. One of the most important evidence modalities left is relating fire accelerants to a suspect. When gasoline is used as accelerant, the aim...
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....
The SCM team is proud to present the Amsterdam Modeling Suite 2020. Read the release notes for more details. A fast G0W0 and RPA implementation is available in ADF. Furthermore, ADF has been fully integrated...
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...