We are excited to announce the new
Synopsys QuantumATK V-2023.12 release.
Here are some highlights of the new features and improvements for the following atomic-scale modeling methods and applications in semiconductor industry and beyond.
Machine-Learned Force Fields- Enabled Moment Tensor Potential (MTP) training with GPUs for up to 20 X speedup.
- Enhanced GUI for MTP active learning, quality validation, and set-up of production calculations with trained MTPs.
- Implemented the universal graph deep learning interatomic potential M3GNET for the entire periodic table.
Density Functional Theory (DFT+U)- Implemented automatic self-consistent ab initio calculations of Hubbard U parameters for the accurate description of electronic structure of strongly correlated systems, such as transition metal oxides, and also metallic systems in general.
Many Body Physics: GW- Implemented the GW method with LCAO basis sets for the highest accuracy of bandstructures and density of states (DOS) for periodic 3D systems and interfaces with hundreds of atoms at a moderate computational cost.
Device Simulations- Improved local device DOS and electron difference density accuracy for multilayer stacks and nanoelectronic devices with Semi-Empirical NEGF models.
Process Simulations- Enhanced ease-of-use, flexibility, and enriched functionality for Nudged Elastic Band (NEB) simulations of reaction/diffusion paths and barriers.
- Significantly faster steered MD simulations of crystallization.
- Possibility to set up post MD hooks in Surface Process Simulation Workflow Builder GUI.
NanoLab GUI- Consolidated DOS analysis in Projected DOS Analyzer tool.
- Improved Job Manager to efficiently manage submission and stopping of many jobs.
- Large number of smaller enhancements to the GUI functionality in all tools.
Get QuantumATK V-2023.12If you are a customer entitled to maintenance services, please login to SolvNetPlus to download QuantumATK V-2023.12 installers and product release information.
The QuantumATK documentation, including the installation guide, manual, tutorials, publication list, and links to resources such has webinars, can be found online on
https://docs.quantumatk.com/ and
https://spdocs.synopsys.com/dow_retrieve/latest/home_public/quantumatk.html
