QuantumATK Solutions for Materials Modeling

Academic Research

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.

Metal Glass Ceramics

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

  • Easy-to-learn and use: Intuitive interface with quick-and-easy access to all tools and features, combined with the power of a Python scripting engine for customization and automation of tasks
  • Hybrid functionality: a homogeneous interface to all atomistic methods, enabling hybrid functionality and specialized features
  • Accurate and reliable: Non-Equilibrium Green’s Functions (NEGF) method for most accurate simulations of interfaces between materials (stacks, contacts, junctions), surfaces, and modeling electronic devices
  • Fast and powerful: Ability to study large and thus more realistic systems
QuantumATK Software

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


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.