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 Webpage on Simulations for Battery Materials Design
Oct 07, 2021: Semiconductor Engineering Article. Making Batteries Denser and Safer
Aug 26, 2021: Semiconductor Engineering Article: Modeling Chips from Atoms to Systems
Sep 7, 2021: QuantumATK S-2021.06-SP1 Service Pack Release
IBM Research and Synopsys Study on Properties of Alternative Metals for Advanced Logic Interconnects
