Prof. Adri van Duin, the developer and mind behind the bond-order based reactive force field method ReaxFF will start off our new AMS & Science webinar series with the following presentation.Do not miss this exciting...
Sustainable composite materials are becoming more sought after and especially the development of novel degradable biocomposites from biological matter is a promising pathway to answering the increasing global demand for sustainable materials. Roumeli et al....
In this 10th video tip of the week, Ole talks about the two thermostats in the AMS MD driver and gives pointers on which thermostat to use and how to set the damping constants.
Note: new webinars can be found at the fall 2022 webinar page Following the release of AMS2022, we are organizing a new series of webinars. We thereby aim to combine scientific presentations and lectures from...
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...
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...
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...
In this fifth video tip of the week, Ole presents a new and much improved way to calculate diffusion coefficients from molecular dynamics trajectories with AMS2022. Tutorials: Li ion diffusion coefficients, Li ion discharge profile
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...
Modeling the sorption of gas molecules in densely packed bulk material can be a challenging task with standard molecular modeling methods like Molecular Dynamics (MD) or Monte Carlo (MC). This is especially true when the...