The Journal of Chemical Physics, Год журнала: 2025, Номер 162(16)

Опубликована: Апрель 22, 2025

In this paper, we present the Amsterdam Modeling Suite (AMS), a comprehensive software platform designed to support advanced molecular and materials simulations across wide range of chemical physical systems. AMS integrates cutting-edge quantum methods, including Density Functional Theory (DFT) time-dependent DFT, with mechanics, fluid thermodynamics, machine learning techniques, more, enable multi-scale modeling complex Its design philosophy allows for seamless coupling between components, facilitating that from small molecules biomolecular solid-state systems, making it versatile tool tackling interdisciplinary challenges, both in industry academia. The suite also emphasizes user accessibility, an intuitive graphical interface, extensive scripting capabilities, compatibility high-performance computing environments.

Язык: Английский