QuantumATK is fully supported and delivered in an easy-to-use interface, tailored from state-of-the-art methods, and developed by experts to the specifications of our customers. Atomic-scale modeling tools in QuantumATK range from Density Functional Theory (DFT) simulations with either LCAO and plane-wave basis sets to semi-empirical models and classical force fields: conventional and machine-learned. All simulation engines share a common infrastructure for analysis, molecular dynamics and parallel performance techniques.

QuantumATK Products

QuantumATK Calculators

Graphical User Interface (GUI)

Scripting and Parallelization

Common Modules

Other Resources

Highlighted Customer Testimonials

 “[… The QuantumATK package] has proven to be an integral part of our studies, allowing us to explore from the atomistic level nanostructures that are directly relevant to nano-electronic technology design […] “

Prof. Jim Greer | University of Nottingham, Ningbo China Campus

 

“ I’ve used a lot of codes for MD, DFT and semi-empirical total energy and transport calculations in the past and I can easily say that [QuantumATK] is better by a huge margin. […] “

User from Semiconductor Industry 

 

“[Synopsys QuantumATK Team] has managed the tour-de-force of blending high performance material modeling techniques (combining solid state physics, chemistry and molecular dynamics) with user-friendliness. […]”

Dr. Geoffrey Pourtois