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QuantumATK Solutions for Materials Modeling
Accelerate development of new materials and obtain deep understanding of mechanisms and structure-property relationships using QuantumATK materials modeling software. Compute both basic and more advanced material properties, including electronic, structural, optical, thermal, magnetic and mechanical properties, as well as electronic and thermal transport, electron-phonon coupling, piezoelectricity and more characteristics.
Why use QuantumATK software?
Our industry-leading atomistic simulation platform empowers the design of novel materials with best properties for new or current products and systems. Reduce R&D time and cost by replacing or guiding experiments and facilitating path finding for solving current industrial problems and developing next-generation products.
Battery Material Simulations
Design novel battery materials for cathodes and anodes, liquid and solid electrolytes, additives, solid electrolyte interphases (SEI) for denser and safer batteries for automotive and other industrial applications.
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Polymer Research & Design
Design polymers with improved thermo-mechanical, thermal conductivity and optical properties within R&D of areas such as photoresist, transparent polymers and polymers used for tire and insulation industries.
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Semiconductor Modeling
Simulate properties of new materials, interface structures, contacts and stacks and their impact on logic, memory devices and interconnects before wafer-based data is available.
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Solar Cell Materials
Model novel photovoltaic materials and devices with improved photocurrent and open circuit voltage (OCV).
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Catalyst Simulations
Predict and screen new materials for improved catalytic activity of transitional metal, transition metal oxide surfaces and zeolites by simulating the properties of a truly semi-infinite system and taking into account electrostatic-fields.
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Metals, Ceramics & Glasses
Design glasses with optimized optical and mechanical properties, thermal transport at crystal/glass interfaces, simulate crystallization and nucleation. Predict electronic, mechanical and other properties of metal alloys.
Benefits of QuantumATK Software
Effective Tools for All Levels
- New Users: Intuitive interface with quick-and-easy access to all tools and features
- Experienced Users: Power of a Python scripting engine for customization and automation of tasks
- Full support from our expert team of application engineers
Realistic Physics of Complex Materials
- Strong capability to analyze large-scale systems
- Unique features for electron transport
- This provides more realistic simulation results
Synergistic Solutions
- Multiple simulation methods in one platform
- Multiphysics: electronic, optical, mechanical, thermal
- Integration with TCAD
- Fast customized and novel solutions
Highlighted Customer Testimonials
“[…QuantumATK NanoLab] provides the level of functionality and versatility that we need. [Synopsys QuantumATK] customer support has been very prompt in helping us create complex custom plug-ins. […] “
Dr. Sergey Barabash | Intermolecular Inc.
“[…] The convenience of the single entry [NanoLab] platform to design, build, launch calculations, and characterize molecular systems using intuitive workflows and analysis tools is terrific once you’re familiar with it! […] “
Dr. Andres Jaramillo-Botero | California Institute of Technology | 2015
“[…] Our team finds the [QuantumATK package] both easy to use and flexible and importantly, the [Synopsys QuantumATK] team is extremely responsive and committed to providing the tools we need to solve our technology problems.”
Prof. Jim Greer | University of Nottingham, Ningbo China Campus
Related Resources
Learn more about QuantumATK products
Interested in applying QuantumATK software to your research? Test our software or contact us at quantumatk@synopsys.com to get more information on QuantumATK platform for atomic-scale modeling.