Software training,tutorials,download,torrentQuantumATK atomic-scale modeling software enables large-scale and thus more realistic material simulations, integrating multiple simulation methods, ranging from ab initio DFT to semi-empirical and classical force fields analysis, into an easy-to-use platform. QuantumATK accelerates semiconductor and materials R&D, and reduces time and costs by enabling more efficient workflows in the screening process of new materials across a broad range of high-tech industries.
QuantumATK atomic-scale modeling software enables large-scale and thus more realistic material simulations, integrating multiple simulation methods, ranging from ab initio DFT to semi-empirical and classical force fields analysis, into an easy-to-use platform. QuantumATK accelerates semiconductor and materials R&D, and reduces time and costs by enabling more efficient workflows in the screening process of new materials across a broad range of high-tech industries.
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. • Nuclear magnetic resonance (NMR) simulations of molecules and solids. Dynamics Updates • 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 starting interface geometries. • User-friendly framework for setting up, submitting and analyzing large number of simulations. Sentaurus Materials Workbench Updates • 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.
Product:QuantumATK 2020.9
Version:2020.0
Supported Architectures: x64
Language: english
Supported Operating Systems:Windows 7even or newer
Size: 1DVD