New AMS Reference Paper Published
We are pleased to announce the publication of a new main reference for the Amsterdam Modeling Suite (AMS) in the Journal of Chemical Physics. The paper provides an overview of AMS as a comprehensive platform for advanced molecular and materials simulations, integrating quantum chemical methods (including DFT and TDDFT), molecular mechanics, fluid thermodynamics, machine learning, and more.
Designed for seamless multi-scale modeling — from small molecules to complex biomolecular and solid-state systems — AMS combines powerful capabilities with an intuitive graphical interface, extensive scripting options, and high-performance computing support. The new reference highlights AMS’s versatility for interdisciplinary research in both industry and academia.
The paper is open access and freely available for everyone to read. We invite AMS users to take a look; our recommended list of references has been updated accordingly.
Evert Jan Baerends, Nestor F. Aguirre, Nick D. Austin, Jochen Autschbach, F. Matthias Bickelhaupt, Rosa Bulo, Chiara Cappelli, Adri C. T. van Duin, Franco Egidi, Célia Fonseca Guerra, Arno Förster, Mirko Franchini, Theodorus P. M. Goumans, Thomas Heine, Matti Hellström, Christoph R. Jacob, Lasse Jensen, Mykhaylo Krykunov, Erik van Lenthe, Artur Michalak, Mariusz M. Mitoraj, Johannes Neugebauer, Valentin Paul Nicu, Pier Philipsen, Harry Ramanantoanina, Robert Rüger, Georg Schreckenbach, Mauro Stener, Marcel Swart, Jos M. Thijssen, Tomáš Trnka, Lucas Visscher, Alexei Yakovlev, Stan van Gisbergen; The Amsterdam Modeling Suite. J. Chem. Phys. 2025; 162 (16): 162501.
