Release notes Amsterdam Modeling Suite 2024
The SCM team proudly announces AMS2024!
We hope you enjoy the powerful new functionality: on-the-fly machine learning potentials, reaction discovery, and Quantum ESPRESSO as an AMS engine.
The SCM team proudly announces AMS2024!
We hope you enjoy the powerful new functionality: on-the-fly machine learning potentials, reaction discovery, and Quantum ESPRESSO as an AMS engine.
If you already have an annual license for our software with an automatic license – just download a new binary. If your autolicense does not work, we need to update the version number, usually done within 2 working days.
To update your cluster license, contact license@scm.com, mentioning your user ID.
If you have an older perpetual license or would like to try out new modules, contact us for an upgrade quote or an evaluation license for 2024.
If you do not have any existing license, request a free trial.
AMS2023: M3GNet, ASE-Engine, ACE-Reaction, Nanoreactor, kinetic data for CatalyticFOAM, pyCRS, GloMPO, Multi-stepper SCF, NEMD, qsGW+BSE, TASKCC, r2SCAN-3c(STO), sigma-functional, ROKS, 3D-RISM, SOC-CD, TD-DFT+TB gradients, new analysis options, MP2, RPA, GW for 0D in BAND
AMS2022: DFTB & ReaxFF parametrization, OLED workflows (deposition, properties), GFN-FF, qsGW, faster FCF, QM/FQFμ, reaction discovery, kMC interface, COSMO-RS-PDH
AMS2021: Automated reaction pathways, GW, polarizable force fields
AMS2020: Multi-layer (QM/MM), ML Potentials, G0W0, ADF-in-AMS, external electric fields for periodic systems
AMS2019.3: microkinetics, fast periodic DFTB, double hybrids, NEB, VASP interface
AMS2019.1: accelerated MD, Solvation Model 12 (SM12) for BAND, GFN-xTB, polymers with COSMO-RS
AMS2018: AMS driver for advanced PES tasks, new excitation capabilities in ADF, ReaxFF analysis and fitting
ADF Modeling Suite 2017: XCDFT, CV-DFT, X2C, periodic NEGF, 2D-TDCDFT, periodic DFTB3, DFTB fat bands, eReaxFF, NHC, MOF & COF builder, VCD analysis tools, molecule gun, Quantum ESPRESSO interface, COSMO-SAC-2016, iPy, improved ASE interface
ADF Modeling Suite 2016: CDFT, SM12, libXC interface, standard RSHs, XES with quadrupoles, TD-DFT+TB, sTDA, sTDDFT, MECP Polarization functional for semiconductor optical properties, periodic energy decomposition analysis, analytical lattice gradients, scripting with COSMO-RS, QuasiNano2015 DFTB parameters, TDDFTB gradients and FCF, ChemTrayzer, ACKS2