Join us for a free webinar on Jun 22, highlighting the new features and enhancements in the QuantumATK S-2021.06 software package for atomic-scale modeling of complex materials, interfaces, nanostructures, and nanoelectronics devices! The QuantumATK S-2021.06 version was released on Jun 7, 2021.

Register for the webinar here. 

During this Synopsys webinar, discover, among other new features:

• Machine-Learned Force Fields, Moment Tensor Potentials (MTPs), to overcome the limitations of availability and accuracy of conventional force fields to model complex systems.
  • Systematically improvable, trained on a dataset of ab initio calculations.
  • Automated training, simulation, and validation workflows, enabling users to develop and use MTPs for new materials.
  • 100-1000x faster generation of realistic structures of complex multi-element crystalline, amorphous materials & interfaces, defect migration barriers, thermal transport vs. DFT.

• Dielectric dependent hybrid DFT HSE06 method (HSE06-DDH) for fast and highly accurate electronic properties of materials, interfaces, and gate stack structures comprised of multiple layers with different band gaps.
  • HSE06-DDH method is based on using improved material-specific fractions of exact exchange, automatically calculated from density for each material (in an interface).
  • Available with LCAO basis sets for efficient large-scale simulations with modest hardware.

• More accurate band diagrams and I–V characteristics of nanoelectronic devices with HSE06-NEGF methodology and on-state calculations using Neumann boundary conditions.
• PBE0, B3LYP, B3LYP5 hybrid DFT with LCAO and PlaneWave basis sets.
  • Use LCAO basis sets for 100x speed-up compared to Plane Wave basis sets enabling highly efficient large-scale simulations with modest hardware.
• New magnetic properties such as Heisenberg exchange coupling, exchange stiffness, and Curie temperature.
• Surface process simulation tools to streamline parameter screening for optimizing yield in ALD and ALE processes and find ideal reactants and optimal reaction conditions through thermochemical selectivity analysis.

And many more new features and performance improvements for industry-leading atomic-scale modeling of

• Complex Semiconductor Materials, Interfaces and Gate Stacks
• 1D and 2D-Material Based FETs
• Novel Memories
• Surface Processes
• Battery Materials and Interfaces
• Polymers

Learn more: https://www.synopsys.com/silicon/quantumatk/resources/release-notes.html

You are welcome to ask questions throughout the webinar or at the end during the Q&A session. Contact us for more information at [email protected]

Register for the webinar here.