Author Topic: QuantumATK V-2023.12 version release on Dec 5, 2023  (Read 3190 times)

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Offline Vaida Arcisauskaite

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QuantumATK V-2023.12 version release on Dec 5, 2023
« on: December 7, 2023, 15:05 »
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-2023.12
If 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 and