Highlights with ‘ReaxFF’

Webinar on Potential Energy Surface Explorations by Dr. Nestor Aguirre: Thursday 19 May 2022, 3pm CEST

Dr. Nestor Aguirre is SCM’s expert on multiscale modeling and working on integrating and improving features like the potential energy surface exploration and kinetic Monte Carlo modules in the Amsterdam Modeling Suite. In this forth...

Webinar on ParAMS by Dr. Matti Hellström: Thursday 05 May 2022, 3pm CEST

Dr. Matti Hellström is SCM’s product developer and supervised the development of ParAMS, the parameter optimization toolkit of the Amsterdam Modeling Suite.In this third session of the AMS & Science 2022 webinar series titled Parametrize...

Molecular Dynamics Webinar by Dr. Tomáš Trnka: Tuesday 03 May 2022, 3pm CEST

Dr. Tomáš Trnka is SCM’s expert on molecular dynamics and accelerated dynamics.In his upcoming webinar talk Molecular Dynamics: Tips, Tricks, and the Properties of Matter Tomáš will share some best practice approaches and know-how on...

ReaxFF webinar by Adri van Duin: 26 April 2022, 3pm CEST

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...

Understanding biological matrix composites using ReaxFF Simulations

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....

Molecular Dynamics Thermostats (video tip of the week)

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.

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...