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 October). You can register with our reseller FermiTech. The first training day will involve basic and a few advanced features of our DFT codes ADF and BAND, DFTB and COSMO-RS and will introduce the AMS driver for PES exploration (see hands-on slides as pdf). The second training day will be on advanced ReaxFF features (see pdf of slides), mainly ReaxFF parameter fitting.

The week thereafter in Japan we have a 1-day ReaxFF parametrization workshop in Osaka (with Prof. Hagita, slides) and a 2-day workshop with our reseller Molsis in Tokyo, focusing on ReaxFF acceleration and paramterization – contact Molsis for details.

By learning how to build your own reactive force field, we hope to empower you to tackle your tough research problems in a variety of different areas (polymers, batteries, semiconductor materials, composites, lubrication, combustion, catalysis, etc.)

Do let us know if you want to join one of these workshops, or if you are interested in hosting a similar workshop yourself!

training ReaxFF force field

Creating ReaxFF training data: surface energies

Key concepts