Highlights with ‘Parametrization’

AMS & Science Webinar Series

Following the release of AMS2022, we are organizing a new series of webinars. We thereby aim to combine scientific presentations and lectures from our expert collaboration partners with online demonstrations of novel and exciting functionality...

The ReaxFF parametrization challenge (video tip of the week)

In this 8th video tip of the week, Ole introduces the ParAMS ReaxFF parametrization challenge. Take a look at the release notes of AMS2022 and the new ParAMS tutorials to see how ParAMS can help...

AMS2022 Released: Easier Parametrization ReaxFF & DFTB, reaction mapping, OLED tools

The SCM team proudly announce our new AMS2022 release, with many new features and improvements. The new ParAMS parametrization toolkit, including graphical interface, will make it easier for you to develop new or improve existing...

ParAMS ReaxFF parametrization challenge

What: Fit a ReaxFF force field using the new ParAMS module of AMS2022. Prizes:1st prize: 300 Euro discount on the next AMS license fee + 250 Euro Amazon voucher or equivalent2nd prize: 200 Euro discount...

Advanced ReaxFF workshop

On 8-9 December an advanced ReaxFF workshop will be held in person in Ghent as well as virtually. The workshop is part of the training series for the AutoCheMo ITN, however, we encourage active participation from other...

AMS2021: automatic reaction pathways, new excited state functionality

The SCM team is happy to announce the 2021.1 release of the Amsterdam Modeling Suite. This release features new potential energy surface exploration tools to automatically locate minima, transition states, and binding sites with all...

New tutorial: visualizing and editing ReaxFF force fields with ADFtrain

Researchers who are building new reactive force fields will benefit from the command line ReaxFF utils. They could also enjoy the graphical user interface tool ADFtrain, which helps to set up training data for ReaxFF...

29 May 2019: 1-day AMS workshop in Seoul

Together with our new reseller in Korea, T&J Tech, we’ll organize a hands-on workshop in Seoul on 29 May. You will learn hands on how to use the Amsterdam Modeling Suite with its powerful GUI,...

Advanced ReaxFF training workshops

We will be holding advanced AMS2018 hands-on workshops in China & Japan, in collaboration with our resellers and local universities. In China we will have two 2-day workshops in Beijing (22+23 October) and Dalian (24+25...

A ReaxFF force field for sodium intrusion in graphitic cathodes

A new force field has been developed to study sodium interactions in carbonaceous materials, using the MCFF Optimizer on ADF energies and MDC-q charges. With this force field important processes in sodium ion batteries and aluminium electrolysis...