Join us for a webcast highlighting the new features, functionalities, and improvements in the QuantumATK R-2020.09 software package for atomic-scale modeling of materials, nanostructures, and nanoelectronics devices! The QuantumATK R-2020.09 version was released on Sep 7, 2020. During this webcast, discover, among other new features:
Density Functional Theory (DFT) and Analysis Objects Updates
- Hybrid-functional method (HSE) for LCAO, which enables accurate DFT simulations of large-scale systems with modest computational resources. Up to 100x faster than plane-wave HSE for smaller systems, and tested on as many as 2,000 atoms.
- 3D-corrected k·p method to speed up band structure and DOS calculations with plane-wave HSE from days/hours to less than a minute.
- Shell DFT+1/2 method for more accurate semiconductor band gaps.
- Nuclear magnetic resonance (NMR) simulations of molecules and solids.
- Up to 2x faster ab initio molecular dynamics simulations.
- Improved methods to quickly obtain geometry estimates of a structure, including the addition of the Universal Force Field which covers the entire periodic table.
- Crosslinking reaction tool for building thermoset polymers + new user-friendly polymer analysis tools.
NanoLab GUI Updates
- State-of-the-art new molecular builder.
- Tool for generating good interface geometries for subsequent DFT geometry optimization.
- User-friendly framework for setting up, submitting, and analyzing a large numbers of simulations.
Sentaurus Materials Workbench
- Surface process module for setting up and running flexible simulation protocols of deposition, etching, and sputtering.
- Plugin for conveniently adsorbing molecules on a surface.
- New band gap correction method for defect trap levels gives more accurate results and can speed up calculations by 75x.
- Easy setup and analysis of a large set of different grain boundaries + user-friendly generation of a script that links the simulations to TCAD Raphael FX for interconnect simulations.
You are welcome to ask questions throughout the webinar or at the end during the Q&A session.