From owner-chemistry@ccl.net Fri May 16 05:44:01 2025 From: "Stan Van Gisbergen vangisbergen!=!scm.com" To: CCL Subject: CCL: AMS2025 release: Accelerated OLED design, easily deploy machine learning potentials, periodic Raman Message-Id: <-55311-250516054202-14696-BkHH/lMjD7Z4aERGWsahEg^server.ccl.net> X-Original-From: Stan Van Gisbergen Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=utf-8 Date: Fri, 16 May 2025 11:41:36 +0200 Mime-Version: 1.0 (Mac OS X Mail 16.0 \(3826.500.181.1.5\)) Sent to CCL by: Stan Van Gisbergen [vangisbergen _ scm.com] Dear colleagues, On behalf of the SCM team and our academic collaborators, we are excited to announce the 2025 release of the Amsterdam Modeling Suite (AMS) for atomistic scale computational chemistry modeling (DFT, COSMO-RS, ReaxFF, ML potentials, ..) and the Bumblebee 3D-KMC code for OLED stack modeling. With the great help of our collaborators, the SCM team offers new and improved functionality that will help you accelerate your chemical and materials research. Check out the release notes: www.scm.com/ams2025 for more details and try for yourself (https://www.scm.com/free-trial/): * New methods for charge transfer and exciton coupling * Faster OLED deposition and property workflows * Model OLED stacks with more accuracy and insight with 3D-KMC * Easily deploy the latest machine learning interatomic potentials through Conda environments * Calculate periodic IR, Raman with Quantum ESPRESSO * Improved productivity for graphically and pythonic building, running and analysis of simulations Let us know how we can further improve our software to help you save more time on your research! Kind regards on behalf of the SCM team, Stan van Gisbergen PS: Also check out our brand-new reference paper "The Amsterdam Modeling Suite” by Baerends et al. https://doi.org/10.1063/5.0258496 Dr. S.J.A. van Gisbergen Chief Executive Officer Software for Chemistry & Materials B.V. De Boelelaan 1109 1081 HV Amsterdam, The Netherlands E-mail: vangisbergen^scm.com http://www.scm.com