QuantumATK

The only fully integrated atomistic simulation platform that combines predictive accuracy, large-scale performance, and enterprise-grade support in a single environment.

Discover the Power of QuantumATK

Synopsys QuantumATK enables companies to develop novel materials through predictive atomic-scale simulation, exploring millions of material combinations computationally to understand structure-property relationships and optimize performance without building physical prototypes. By combining DFT, force fields, and machine-learned potentials into a single integrated platform with GPU acceleration, QuantumATK delivers accurate material property predictions at scale. With an intuitive NanoLab interface, full Python scripting, seamless Ansys integration, and a team of experts to support you, QuantumATK accelerates time to market while dramatically reducing development costs.

Why QuantumATK?

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.
  • 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.
  • Integrate seamlessly with the Synopsys Design-Technology Co-Optimization (DTCO) solution.

Key Features and Benefits

Large-Scale Simulation Capability
GPU-accelerated simulations handling millions of atoms for realistic, complex material systems.
Intuitive Yet Powerful
NanoLab GUI for quick onboarding plus full Python scripting for expert automation, opening atomistic modeling across skill levels.
Predictive From First Principles
Requires only atomic positions as input. No experimental data or calibration needed, enabling exploration of truly novel materials.
Business Integration
Connect atomistic results to Ansys Granta (materials data management), and continuum solvers for end-to-end materials engineering.

Why partner with Simtec?

Partnering with Simtec ensures you get the most out of QuantumATK.

  • Expert Support
  • Comprehensive Training
  • Tailored Solutions
  • Cost Efficiency