Chemistry and Materials with the Amsterdam Modeling Suite

Explore the Amsterdam Modeling Suite for atomistic simulations in chemistry and materials science through this comprehensive 56-minute talk by Nicolas Onofrio from SCM. Gain insights into the AMS driver for potential energy surface exploration, its integration with DFT, DFTB, and force field engines, and the capabilities of ADF and BAND for DFT studies. Delve into force fields like ReaxFF and MLPotential for reactive systems and polymer chemistry, and learn about PARAMS for creating new force field parameters. Watch demonstrations and videos showcasing the AMS graphical user interface, and discover applications in various fields of chemistry and materials science. The presentation covers topics such as ReaxFF engine, eReaxFF, machine learning potentials, workflows, and PLAMS, providing a thorough overview of the suite's capabilities for atomistic modeling and simulation.

Chemistry & Materials with the Amsterdam Modeling Suite
Overview
Background: ADF & SCM
From ADF to AMS
From ADF to AMS
The graphical user interface
The ReaxFF engine
ReaxFF 1
ReaxFF 2
ReaxFF 3
ReaxFF 3
eReaxFF 4
ParAMS
Machine Learning Potentials
Workflows
PLAMS
Thank you