Exploring Advanced Materials Modeling with the Amsterdam Modeling Suite (2025 IEEE NTC)

Abstract:
In this talk Dr. Nicolas Onofrio will present the Amsterdam Modeling Suite (AMS), a powerful software package for atomistic simulations across diverse levels of theory. AMS offers seamless integration with computational engines such as Density Functional Theory, Tight Binding, and Force Fields, making it an invaluable platform for exploring potential energy surfaces (PES) in molecules and periodic systems. Its innovative features include ParAMS, a module to tune atomistic model parameters as well as an active learning workflow for efficient PES exploration. These capabilities enable rapid predictions of material properties and reaction mechanisms, driving advancements in batteries, semiconductors, polymers, and OLEDs. With an intuitive Python interface, AMS empowers researchers to automate workflows, screen materials, and optimize critical properties, providing a comprehensive toolkit for accelerating innovation in chemistry and materials science.
More infos at https://www.scm.com/
Co-sponsored by: Dr. Luiz Felipe Aguinsky Postdoctoral Fellow Computational Nanoelectronics Group Integrated Systems Laboratory, ETH Zurich ETZ H 69, Gloriastrasse 35 8092 Zurich Switzerland
Agenda:
Virtual: https://events.vtools.ieee.org/m/471782