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.
Simulate properties of new materials, interface structures, contacts and stacks for insights on how they impact semiconductor devices and processes before wafer-based data is available. Integrated with TCAD tools.
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Optimize material options in polymers, metals, glasses, solar cells, batteries, catalysis and other industries. Simulate and analyze a wide range of both basic and advanced material properties and systems.
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Accelerate your research by performing efficient atomistic material and electronic device simulations using uniquely combined state-of-the-art methods. Benefit from an advanced GUI and Python scripting.
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Rich tools for DFT simulations (LCAO and plane-wave basis sets), semi-empirical & classical force fields. Use a Non-equilibrium Green’s function (NEGF) module for device and surface simulations.
Learn MoreNEW May 6, 2021: Synopsys Webinar: Atomistic Simulations of Defects and Dopants with QuantumATK
NEW Jun 2021: Synopsys Webinar. QuantumATK S-2021.06 Release Highlights (Coming Soon)
NEW Aug 2021: Synopsys Webinar. Machine-Learned Moment Tensor Potentials (Coming Soon)
NEW Sept 2021: Synopsys Webinar. Simulation of Polymers (Coming Soon)
